#=============================================================================
 
data_is_ea716

_audit_author_name                'Villinger, A.' 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C24 H21 F O6' 
_chemical_formula_sum
 'C24 H21 F O6' 
_chemical_formula_weight          424.41

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
#==============================================================================

# CRYSTAL DATA

_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    8.8809(7)
_cell_length_b                    9.9983(8)
_cell_length_c                    12.0332(10)
_cell_angle_alpha                 93.220(3)
_cell_angle_beta                  110.773(3)
_cell_angle_gamma                 94.323(3)
_cell_volume                      992.23(14)
_cell_formula_units_Z             2
_cell_measurement_temperature     123(2)
_cell_measurement_reflns_used      9934
_cell_measurement_theta_min        2.48
_cell_measurement_theta_max       32.53

_exptl_crystal_description       'block'
_exptl_crystal_colour            'colourless'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.421          
_exptl_crystal_F_000              444
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.290
_exptl_crystal_size_mid           0.220
_exptl_crystal_size_min           0.150
_exptl_absorpt_coefficient_mu     0.108
_shelx_estimated_absorpt_T_min    0.969
_shelx_estimated_absorpt_T_max    0.984
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.7275 
_exptl_absorpt_correction_T_max    0.7464 
_exptl_absorpt_process_details    '(SADABS; Sheldrick, 2014)'

#==============================================================================

# EXPERIMENTAL DATA
 
 
_diffrn_ambient_temperature       123(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    'microfocus sealed tube'
_diffrn_measurement_device_type   'Bruker D8 QUEST diffractometer'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             64494
_diffrn_reflns_av_unetI/netI      0.0199
_diffrn_reflns_av_R_equivalents   0.0332
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          2.480
_diffrn_reflns_theta_max          32.499
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.996
_diffrn_measured_fraction_theta_full  0.992
_diffrn_reflns_Laue_measured_fraction_max    0.996
_diffrn_reflns_Laue_measured_fraction_full   0.992
_diffrn_reflns_point_group_measured_fraction_max   0.996
_diffrn_reflns_point_group_measured_fraction_full  0.992
_reflns_number_total              7144
_reflns_number_gt                 6182
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        'Bruker Apex V7.51A'
_computing_cell_refinement        'Bruker Apex V7.51A'
_computing_data_reduction         'Bruker SAINT'
_computing_structure_solution     'Bruker SHELXTL'
_computing_structure_refinement   'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     'ORTEP-3v2.01 (Farrugia, 1997)' 
_computing_publication_material   'SHELXL-2014/7 (Sheldrick, 2014)'

#==============================================================================

# REFINEMENT DATA 
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0528P)²+0.3736P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          7144
_refine_ls_number_parameters      284
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0495
_refine_ls_R_factor_gt            0.0414
_refine_ls_wR_factor_ref          0.1081
_refine_ls_wR_factor_gt           0.1038
_refine_ls_goodness_of_fit_ref    1.047
_refine_ls_restrained_S_all       1.047
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
F1 F -0.32020(7) 0.18971(6) 0.01012(6) 0.02125(13) Uani 1 1 d . . . . .
O1 O 0.23312(8) 0.64137(6) 0.33431(6) 0.01395(12) Uani 1 1 d . . . . .
O2 O 0.43885(8) 0.53115(7) 0.31304(7) 0.01693(14) Uani 1 1 d . . . . .
O3 O -0.22510(8) 0.78080(7) 0.02907(6) 0.01656(13) Uani 1 1 d . . . . .
O4 O 0.18616(9) 1.11097(7) 0.27864(7) 0.02133(15) Uani 1 1 d . . . . .
O5 O 0.62157(8) 0.97061(7) 0.24668(6) 0.01799(14) Uani 1 1 d . . . . .
O6 O 0.98690(8) 0.71058(8) 0.52029(6) 0.01982(14) Uani 1 1 d . . . . .
C1 C 0.14256(10) 0.74199(8) 0.27360(8) 0.01210(15) Uani 1 1 d . . . . .
C2 C -0.00779(10) 0.70775(8) 0.18393(7) 0.01126(14) Uani 1 1 d . . . . .
C3 C -0.08433(10) 0.56721(8) 0.14873(7) 0.01092(14) Uani 1 1 d . . . . .
C4 C -0.25011(10) 0.53909(9) 0.12701(8) 0.01312(15) Uani 1 1 d . . . . .
H4 H -0.3085 0.6086 0.1435 0.016 Uiso 1 1 calc R U . . .
C5 C -0.33099(11) 0.41171(9) 0.08188(8) 0.01495(16) Uani 1 1 d . . . . .
H5 H -0.4429 0.3929 0.0682 0.018 Uiso 1 1 calc R U . . .
C6 C -0.24240(11) 0.31369(8) 0.05772(8) 0.01407(16) Uani 1 1 d . . . . .
C7 C -0.07842(10) 0.33455(8) 0.08185(8) 0.01246(15) Uani 1 1 d . . . . .
H7 H -0.0217 0.2638 0.0654 0.015 Uiso 1 1 calc R U . . .
C8 C 0.00384(10) 0.46197(8) 0.13122(7) 0.01066(14) Uani 1 1 d . . . . .
C9 C 0.18035(10) 0.47495(8) 0.16809(8) 0.01246(15) Uani 1 1 d . . . . .
H9 H 0.2272 0.4257 0.1210 0.015 Uiso 1 1 calc R U . . .
C10 C 0.27910(10) 0.55206(8) 0.26416(8) 0.01265(15) Uani 1 1 d . . . . .
C11 C 0.21288(11) 0.87394(9) 0.31179(8) 0.01497(16) Uani 1 1 d . . . . .
H11 H 0.3136 0.8926 0.3762 0.018 Uiso 1 1 calc R U . . .
C12 C 0.13101(11) 0.97725(9) 0.25276(8) 0.01514(16) Uani 1 1 d . . . . .
C13 C -0.01710(11) 0.94886(9) 0.15754(8) 0.01490(16) Uani 1 1 d . . . . .
H13 H -0.0708 1.0199 0.1161 0.018 Uiso 1 1 calc R U . . .
C14 C -0.08501(10) 0.81633(8) 0.12401(8) 0.01255(15) Uani 1 1 d . . . . .
C15 C 0.34822(13) 1.14442(10) 0.36132(10) 0.0234(2) Uani 1 1 d . . . . .
H15A H 0.4224 1.0947 0.3350 0.035 Uiso 1 1 calc R U . . .
H15B H 0.3551 1.1201 0.4406 0.035 Uiso 1 1 calc R U . . .
H15C H 0.3782 1.2414 0.3649 0.035 Uiso 1 1 calc R U . . .
C16 C -0.31337(12) 0.88633(9) -0.03074(9) 0.01872(18) Uani 1 1 d . . . . .
H16A H -0.2440 0.9441 -0.0600 0.028 Uiso 1 1 calc R U . . .
H16B H -0.3475 0.9401 0.0251 0.028 Uiso 1 1 calc R U . . .
H16C H -0.4090 0.8469 -0.0982 0.028 Uiso 1 1 calc R U . . .
C17 C 0.55698(10) 0.63953(9) 0.33612(8) 0.01266(15) Uani 1 1 d . . . . .
C18 C 0.70658(10) 0.61964(9) 0.42061(8) 0.01365(15) Uani 1 1 d . . . . .
H18 H 0.7214 0.5404 0.4616 0.016 Uiso 1 1 calc R U . . .
C19 C 0.83327(10) 0.71995(9) 0.44272(8) 0.01384(15) Uani 1 1 d . . . . .
C20 C 0.81081(11) 0.83964(9) 0.38594(8) 0.01490(16) Uani 1 1 d . . . . .
H20 H 0.8981 0.9081 0.4030 0.018 Uiso 1 1 calc R U . . .
C21 C 0.65861(11) 0.85614(9) 0.30436(8) 0.01339(15) Uani 1 1 d . . . . .
C22 C 0.52966(10) 0.75452(9) 0.27584(8) 0.01348(15) Uani 1 1 d . . . . .
H22 H 0.4271 0.7643 0.2172 0.016 Uiso 1 1 calc R U . . .
C23 C 1.00152(12) 0.62354(10) 0.61348(9) 0.02013(18) Uani 1 1 d . . . . .
H23A H 0.9677 0.5303 0.5786 0.030 Uiso 1 1 calc R U . . .
H23B H 0.9324 0.6498 0.6572 0.030 Uiso 1 1 calc R U . . .
H23C H 1.1144 0.6310 0.6683 0.030 Uiso 1 1 calc R U . . .
C24 C 0.73196(12) 1.08880(10) 0.29700(10) 0.01977(18) Uani 1 1 d . . . . .
H24A H 0.8358 1.0761 0.2884 0.030 Uiso 1 1 calc R U . . .
H24B H 0.7485 1.1049 0.3818 0.030 Uiso 1 1 calc R U . . .
H24C H 0.6872 1.1664 0.2553 0.030 Uiso 1 1 calc R U . . .
 

#==============================================================================

# MOLECULAR GEOMETRY
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
F1 C6 1.3611(10) . ?
O1 C10 1.3753(11) . ?
O1 C1 1.4072(10) . ?
O2 C10 1.3671(10) . ?
O2 C17 1.3929(10) . ?
O3 C14 1.3634(11) . ?
O3 C16 1.4337(11) . ?
O4 C12 1.3678(11) . ?
O4 C15 1.4309(13) . ?
O5 C21 1.3725(11) . ?
O5 C24 1.4311(12) . ?
O6 C19 1.3664(10) . ?
O6 C23 1.4336(12) . ?
C1 C2 1.3900(12) . ?
C1 C11 1.3950(12) . ?
C2 C14 1.4206(12) . ?
C2 C3 1.4835(11) . ?
C3 C4 1.4041(12) . ?
C3 C8 1.4075(11) . ?
C4 C5 1.3930(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.3822(13) . ?
C5 H5 0.9500 . ?
C6 C7 1.3770(12) . ?
C7 C8 1.4059(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.4631(12) . ?
C9 C10 1.3337(12) . ?
C9 H9 0.9500 . ?
C11 C12 1.3889(13) . ?
C11 H11 0.9500 . ?
C12 C13 1.4007(13) . ?
C13 C14 1.3890(12) . ?
C13 H13 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.3849(12) . ?
C17 C18 1.3938(12) . ?
C18 C19 1.3892(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.4035(12) . ?
C20 C21 1.3887(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.4029(12) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
C10 O1 C1 115.04(7) . . ?
C10 O2 C17 119.40(7) . . ?
C14 O3 C16 118.04(7) . . ?
C12 O4 C15 117.12(8) . . ?
C21 O5 C24 116.40(7) . . ?
C19 O6 C23 116.09(7) . . ?
C2 C1 C11 124.10(8) . . ?
C2 C1 O1 120.46(7) . . ?
C11 C1 O1 115.43(7) . . ?
C1 C2 C14 115.87(7) . . ?
C1 C2 C3 123.32(7) . . ?
C14 C2 C3 120.79(7) . . ?
C4 C3 C8 119.01(7) . . ?
C4 C3 C2 119.47(7) . . ?
C8 C3 C2 121.46(7) . . ?
C5 C4 C3 121.56(8) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C6 C5 C4 117.53(8) . . ?
C6 C5 H5 121.2 . . ?
C4 C5 H5 121.2 . . ?
F1 C6 C7 118.36(8) . . ?
F1 C6 C5 118.48(8) . . ?
C7 C6 C5 123.15(8) . . ?
C6 C7 C8 119.08(8) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 H7 120.5 . . ?
C7 C8 C3 119.39(8) . . ?
C7 C8 C9 117.04(7) . . ?
C3 C8 C9 123.47(7) . . ?
C10 C9 C8 123.60(8) . . ?
C10 C9 H9 118.2 . . ?
C8 C9 H9 118.2 . . ?
C9 C10 O2 120.22(8) . . ?
C9 C10 O1 126.12(8) . . ?
O2 C10 O1 112.86(7) . . ?
C12 C11 C1 117.94(8) . . ?
C12 C11 H11 121.0 . . ?
C1 C11 H11 121.0 . . ?
O4 C12 C11 124.56(8) . . ?
O4 C12 C13 114.75(8) . . ?
C11 C12 C13 120.67(8) . . ?
C14 C13 C12 119.64(8) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
O3 C14 C13 122.80(8) . . ?
O3 C14 C2 115.51(7) . . ?
C13 C14 C2 121.63(8) . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O3 C16 H16A 109.5 . . ?
O3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 O2 122.58(8) . . ?
C22 C17 C18 123.01(8) . . ?
O2 C17 C18 114.34(8) . . ?
C19 C18 C17 117.60(8) . . ?
C19 C18 H18 121.2 . . ?
C17 C18 H18 121.2 . . ?
O6 C19 C18 123.29(8) . . ?
O6 C19 C20 115.18(8) . . ?
C18 C19 C20 121.53(8) . . ?
C21 C20 C19 118.75(8) . . ?
C21 C20 H20 120.6 . . ?
C19 C20 H20 120.6 . . ?
O5 C21 C20 123.71(8) . . ?
O5 C21 C22 115.00(8) . . ?
C20 C21 C22 121.29(8) . . ?
C17 C22 C21 117.73(8) . . ?
C17 C22 H22 121.1 . . ?
C21 C22 H22 121.1 . . ?
O6 C23 H23A 109.5 . . ?
O6 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O6 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O5 C24 H24A 109.5 . . ?
O5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
 
loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
C10 O1 C1 C2 62.56(10) . . . . ?
C10 O1 C1 C11 -118.75(8) . . . . ?
C11 C1 C2 C14 4.74(13) . . . . ?
O1 C1 C2 C14 -176.68(7) . . . . ?
C11 C1 C2 C3 -176.78(8) . . . . ?
O1 C1 C2 C3 1.80(13) . . . . ?
C1 C2 C3 C4 137.17(9) . . . . ?
C14 C2 C3 C4 -44.42(12) . . . . ?
C1 C2 C3 C8 -45.78(12) . . . . ?
C14 C2 C3 C8 132.63(9) . . . . ?
C8 C3 C4 C5 -3.90(13) . . . . ?
C2 C3 C4 C5 173.23(8) . . . . ?
C3 C4 C5 C6 -0.75(13) . . . . ?
C4 C5 C6 F1 -178.00(8) . . . . ?
C4 C5 C6 C7 3.43(13) . . . . ?
F1 C6 C7 C8 -179.89(7) . . . . ?
C5 C6 C7 C8 -1.32(13) . . . . ?
C6 C7 C8 C3 -3.48(12) . . . . ?
C6 C7 C8 C9 173.10(8) . . . . ?
C4 C3 C8 C7 5.98(12) . . . . ?
C2 C3 C8 C7 -171.08(8) . . . . ?
C4 C3 C8 C9 -170.37(8) . . . . ?
C2 C3 C8 C9 12.57(12) . . . . ?
C7 C8 C9 C10 -143.53(9) . . . . ?
C3 C8 C9 C10 32.90(13) . . . . ?
C8 C9 C10 O2 161.12(8) . . . . ?
C8 C9 C10 O1 -7.93(14) . . . . ?
C17 O2 C10 C9 129.32(9) . . . . ?
C17 O2 C10 O1 -60.27(10) . . . . ?
C1 O1 C10 C9 -57.45(11) . . . . ?
C1 O1 C10 O2 132.81(7) . . . . ?
C2 C1 C11 C12 -3.16(13) . . . . ?
O1 C1 C11 C12 178.20(8) . . . . ?
C15 O4 C12 C11 8.55(14) . . . . ?
C15 O4 C12 C13 -169.96(9) . . . . ?
C1 C11 C12 O4 -178.74(8) . . . . ?
C1 C11 C12 C13 -0.32(13) . . . . ?
O4 C12 C13 C14 -179.58(8) . . . . ?
C11 C12 C13 C14 1.84(14) . . . . ?
C16 O3 C14 C13 -6.34(13) . . . . ?
C16 O3 C14 C2 176.50(8) . . . . ?
C12 C13 C14 O3 -177.08(8) . . . . ?
C12 C13 C14 C2 -0.09(13) . . . . ?
C1 C2 C14 O3 174.17(7) . . . . ?
C3 C2 C14 O3 -4.36(12) . . . . ?
C1 C2 C14 C13 -3.03(13) . . . . ?
C3 C2 C14 C13 178.44(8) . . . . ?
C10 O2 C17 C22 -24.03(13) . . . . ?
C10 O2 C17 C18 158.88(8) . . . . ?
C22 C17 C18 C19 -1.07(13) . . . . ?
O2 C17 C18 C19 176.00(8) . . . . ?
C23 O6 C19 C18 -25.01(13) . . . . ?
C23 O6 C19 C20 154.81(9) . . . . ?
C17 C18 C19 O6 -177.69(8) . . . . ?
C17 C18 C19 C20 2.51(13) . . . . ?
O6 C19 C20 C21 179.04(8) . . . . ?
C18 C19 C20 C21 -1.15(14) . . . . ?
C24 O5 C21 C20 -17.05(13) . . . . ?
C24 O5 C21 C22 162.47(8) . . . . ?
C19 C20 C21 O5 177.76(8) . . . . ?
C19 C20 C21 C22 -1.73(13) . . . . ?
O2 C17 C22 C21 -178.50(8) . . . . ?
C18 C17 C22 C21 -1.66(13) . . . . ?
O5 C21 C22 C17 -176.45(8) . . . . ?
C20 C21 C22 C17 3.08(13) . . . . ?
 
_refine_diff_density_max    0.499
_refine_diff_density_min   -0.302
_refine_diff_density_rms    0.052



