
data_7-out-out'
_publ_contact_author_name        'Prof. J. N. Moorthy'
_publ_contact_author_address     
;Department of chemistry
Indian Institute of Technology
Kanpur 208016
INDIA
;
_publ_contact_author_email       moorthy@iitk.ac.in
_publ_contact_author_phone       +91-512-2597438
_publ_contact_author_fax         +91-512-2596806
loop_
_publ_author_name
_publ_author_address
'Prof. J. N. Moorthy'
;Department of chemistry
Indian Institute of Technology 
Kanpur 208016
INDIA
;
'Arindam Mukhopadhyay'
;Department of Chemistry
Indian Institute of Technology
Kanpur 208016
INDIA
; 
'Kanyashree Jana'
;Department of Chemistry
Indian Institute of Technology
Kanpur 208016
INDIA 
; 
'Kalyanasis Sahu'
;Department of Chemistry
Indian Institute of Technology
Guwahati 781039
INDIA
; 
'Tousif Hossen'
;Department of Chemistry
Indian Institute of Technology
Guwahati 781039
INDIA
; 

_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C28 H14 O4'
_chemical_formula_sum
 'C28 H14 O4'
_chemical_formula_weight          414.39

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'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system       monoclinic
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 21/c'
_space_group_name_Hall            '-P 2ybc'

_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+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                    11.4487(10)
_cell_length_b                    7.2437(6)
_cell_length_c                    22.218(2)
_cell_angle_alpha                 90
_cell_angle_beta                  95.522(3)
_cell_angle_gamma                 90
_cell_volume                      1834.0(3)
_cell_formula_units_Z             4
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     2204
_cell_measurement_theta_min       2.687
_cell_measurement_theta_max       28.347

_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     1.501
_exptl_crystal_F_000              856
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.24
_exptl_crystal_size_mid           0.18
_exptl_crystal_size_min           0.12
_exptl_absorpt_coefficient_mu     0.100
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       100(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    'sealed tube'
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             26989
_diffrn_reflns_av_unetI/netI      0.1643
_diffrn_reflns_av_R_equivalents   0.1838
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -9
_diffrn_reflns_limit_k_max        9
_diffrn_reflns_limit_l_min        -29
_diffrn_reflns_limit_l_max        29
_diffrn_reflns_theta_min          2.687
_diffrn_reflns_theta_max          28.347
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.997
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.997
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   0.997
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              4569
_reflns_number_gt                 2204
_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 APEX2'
_computing_cell_refinement        'Bruker SAINT'
_computing_data_reduction         'Bruker SAINT'
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0429P)²] 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          4569
_refine_ls_number_parameters      289
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1848
_refine_ls_R_factor_gt            0.0692
_refine_ls_wR_factor_ref          0.1253
_refine_ls_wR_factor_gt           0.0997
_refine_ls_goodness_of_fit_ref    0.992
_refine_ls_restrained_S_all       0.992
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000

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
O1 O 0.92699(16) 0.2824(2) -0.02245(8) 0.0279(5) Uani 1 1 d . . . . .
C1 C 0.9068(2) 0.2659(4) 0.02968(12) 0.0191(6) Uani 1 1 d . . . . .
O2 O 0.91908(14) 0.0927(2) 0.05514(7) 0.0201(4) Uani 1 1 d . . . . .
C2 C 0.8739(2) 0.4104(4) 0.06907(11) 0.0184(6) Uani 1 1 d . . . . .
H2 H 0.8747 0.5319 0.0556 0.022 Uiso 1 1 calc R U . . .
O3 O 0.34633(15) -0.1097(3) 0.00921(8) 0.0238(5) Uani 1 1 d . . . . .
C3 C 0.84228(19) 0.3765(4) 0.12401(11) 0.0168(6) Uani 1 1 d . . . . .
H3 H 0.8171 0.4734 0.1470 0.020 Uiso 1 1 calc R U . . .
O4 O 0.46300(14) 0.0643(2) 0.07052(7) 0.0198(4) Uani 1 1 d . . . . .
C4 C 0.8463(2) 0.1919(3) 0.14860(11) 0.0140(6) Uani 1 1 d . . . . .
C5 C 0.8934(2) 0.0580(3) 0.11361(11) 0.0154(6) Uani 1 1 d . . . . .
C6 C 0.9240(2) -0.1180(4) 0.13522(11) 0.0191(6) Uani 1 1 d . . . . .
H6 H 0.9506 -0.2071 0.1097 0.023 Uiso 1 1 calc R U . . .
C7 C 0.9142(2) -0.1564(3) 0.19441(12) 0.0185(6) Uani 1 1 d . . . . .
H7 H 0.9386 -0.2709 0.2098 0.022 Uiso 1 1 calc R U . . .
C8 C 0.8674(2) -0.0253(3) 0.23319(11) 0.0151(6) Uani 1 1 d . . . . .
C9 C 0.8230(2) 0.1431(3) 0.20904(11) 0.0149(6) Uani 1 1 d . . . . .
C10 C 0.7660(2) 0.2671(3) 0.24856(11) 0.0158(6) Uani 1 1 d . . . . .
C11 C 0.7937(2) 0.2439(3) 0.31151(11) 0.0166(6) Uani 1 1 d . . . . .
C12 C 0.8447(2) 0.0765(3) 0.33444(11) 0.0195(6) Uani 1 1 d . . . . .
H12 H 0.8579 0.0592 0.3760 0.023 Uiso 1 1 calc R U . . .
C13 C 0.8744(2) -0.0582(3) 0.29669(11) 0.0187(6) Uani 1 1 d . . . . .
H13 H 0.8994 -0.1724 0.3121 0.022 Uiso 1 1 calc R U . . .
C14 C 0.7723(2) 0.3930(3) 0.35114(11) 0.0192(6) Uani 1 1 d . . . . .
H14 H 0.7907 0.3799 0.3926 0.023 Uiso 1 1 calc R U . . .
C15 C 0.7256(2) 0.5526(4) 0.32876(11) 0.0196(6) Uani 1 1 d . . . . .
H15 H 0.7250 0.6556 0.3537 0.024 Uiso 1 1 calc R U . . .
C16 C 0.6772(2) 0.5656(3) 0.26732(11) 0.0166(6) Uani 1 1 d . . . . .
C17 C 0.6868(2) 0.4143(3) 0.22849(11) 0.0152(6) Uani 1 1 d . . . . .
C18 C 0.6074(2) 0.4059(3) 0.17352(11) 0.0146(6) Uani 1 1 d . . . . .
C19 C 0.5433(2) 0.5671(3) 0.15470(11) 0.0185(6) Uani 1 1 d . . . . .
C20 C 0.5534(2) 0.7294(3) 0.19099(12) 0.0217(7) Uani 1 1 d . . . . .
H20 H 0.5184 0.8385 0.1764 0.026 Uiso 1 1 calc R U . . .
C21 C 0.6134(2) 0.7265(3) 0.24638(12) 0.0208(6) Uani 1 1 d . . . . .
H21 H 0.6132 0.8301 0.2711 0.025 Uiso 1 1 calc R U . . .
C22 C 0.5792(2) 0.2392(3) 0.14260(11) 0.0165(6) Uani 1 1 d . . . . .
H22 H 0.6180 0.1309 0.1549 0.020 Uiso 1 1 calc R U . . .
C23 C 0.4949(2) 0.2365(3) 0.09475(11) 0.0168(6) Uani 1 1 d . . . . .
C24 C 0.4385(2) 0.3967(4) 0.07212(11) 0.0199(6) Uani 1 1 d . . . . .
C25 C 0.4636(2) 0.5606(4) 0.10249(12) 0.0221(7) Uani 1 1 d . . . . .
H25 H 0.4270 0.6687 0.0881 0.026 Uiso 1 1 calc R U . . .
C26 C 0.3540(2) 0.3797(4) 0.02078(12) 0.0301(7) Uani 1 1 d . . . . .
H26 H 0.3198 0.4852 0.0030 0.036 Uiso 1 1 calc R U . . .
C27 C 0.3236(2) 0.2133(4) -0.00200(13) 0.0301(7) Uani 1 1 d . . . . .
H27 H 0.2685 0.2055 -0.0355 0.036 Uiso 1 1 calc R U . . .
C28 C 0.3743(2) 0.0461(4) 0.02425(12) 0.0220(7) Uani 1 1 d . . . . .


_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
O1 C1 1.209(3) . ?
C1 O2 1.377(3) . ?
C1 C2 1.438(3) . ?
O2 C5 1.382(3) . ?
C2 C3 1.329(3) . ?
C2 H2 0.9300 . ?
O3 C28 1.211(3) . ?
C3 C4 1.444(3) . ?
C3 H3 0.9300 . ?
O4 C28 1.380(3) . ?
O4 C23 1.393(3) . ?
C4 C5 1.384(3) . ?
C4 C9 1.438(3) . ?
C5 C6 1.395(3) . ?
C6 C7 1.359(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.421(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.408(3) . ?
C8 C13 1.425(3) . ?
C9 C10 1.453(3) . ?
C10 C11 1.414(3) . ?
C10 C17 1.442(3) . ?
C11 C12 1.420(3) . ?
C11 C14 1.429(3) . ?
C12 C13 1.351(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.348(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.426(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.406(3) . ?
C16 C21 1.430(3) . ?
C17 C18 1.452(3) . ?
C18 C22 1.411(3) . ?
C18 C19 1.421(3) . ?
C19 C25 1.406(3) . ?
C19 C20 1.424(3) . ?
C20 C21 1.351(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.365(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.397(3) . ?
C24 C25 1.382(3) . ?
C24 C26 1.428(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.340(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.442(4) . ?
C27 H27 0.9300 . ?

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
O1 C1 O2 117.5(2) . . ?
O1 C1 C2 126.6(3) . . ?
O2 C1 C2 115.8(2) . . ?
C1 O2 C5 121.95(19) . . ?
C3 C2 C1 122.4(2) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C2 C3 C4 121.1(2) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C28 O4 C23 121.3(2) . . ?
C5 C4 C9 118.0(2) . . ?
C5 C4 C3 115.9(2) . . ?
C9 C4 C3 125.4(2) . . ?
O2 C5 C4 122.0(2) . . ?
O2 C5 C6 114.9(2) . . ?
C4 C5 C6 123.1(2) . . ?
C7 C6 C5 118.6(2) . . ?
C7 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
C6 C7 C8 121.4(2) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 119.4(2) . . ?
C9 C8 C13 120.4(2) . . ?
C7 C8 C13 120.0(2) . . ?
C8 C9 C4 118.4(2) . . ?
C8 C9 C10 118.1(2) . . ?
C4 C9 C10 123.2(2) . . ?
C11 C10 C17 117.9(2) . . ?
C11 C10 C9 117.0(2) . . ?
C17 C10 C9 125.1(2) . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 C14 119.0(2) . . ?
C12 C11 C14 120.9(2) . . ?
C13 C12 C11 120.9(2) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C8 120.0(2) . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C15 C14 C11 120.4(2) . . ?
C15 C14 H14 119.8 . . ?
C11 C14 H14 119.8 . . ?
C14 C15 C16 120.9(2) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 119.3(2) . . ?
C17 C16 C21 120.2(2) . . ?
C15 C16 C21 120.3(2) . . ?
C16 C17 C10 118.1(2) . . ?
C16 C17 C18 118.0(2) . . ?
C10 C17 C18 123.6(2) . . ?
C22 C18 C19 118.2(2) . . ?
C22 C18 C17 122.8(2) . . ?
C19 C18 C17 118.5(2) . . ?
C25 C19 C18 119.4(2) . . ?
C25 C19 C20 120.4(2) . . ?
C18 C19 C20 120.0(2) . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C16 120.5(2) . . ?
C20 C21 H21 119.7 . . ?
C16 C21 H21 119.7 . . ?
C23 C22 C18 120.2(2) . . ?
C23 C22 H22 119.9 . . ?
C18 C22 H22 119.9 . . ?
C22 C23 O4 116.9(2) . . ?
C22 C23 C24 122.4(2) . . ?
O4 C23 C24 120.6(2) . . ?
C25 C24 C23 118.1(2) . . ?
C25 C24 C26 123.8(2) . . ?
C23 C24 C26 118.0(2) . . ?
C24 C25 C19 121.3(2) . . ?
C24 C25 H25 119.4 . . ?
C19 C25 H25 119.4 . . ?
C27 C26 C24 120.7(3) . . ?
C27 C26 H26 119.7 . . ?
C24 C26 H26 119.7 . . ?
C26 C27 C28 121.5(3) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
O3 C28 O4 116.8(2) . . ?
O3 C28 C27 125.9(3) . . ?
O4 C28 C27 117.4(3) . . ?

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
O1 C1 O2 C5 -177.3(2) . . . . ?
C2 C1 O2 C5 4.3(3) . . . . ?
O1 C1 C2 C3 173.3(2) . . . . ?
O2 C1 C2 C3 -8.4(3) . . . . ?
C1 C2 C3 C4 3.8(4) . . . . ?
C2 C3 C4 C5 4.9(3) . . . . ?
C2 C3 C4 C9 174.9(2) . . . . ?
C1 O2 C5 C4 4.5(3) . . . . ?
C1 O2 C5 C6 -172.4(2) . . . . ?
C9 C4 C5 O2 -179.8(2) . . . . ?
C3 C4 C5 O2 -9.1(3) . . . . ?
C9 C4 C5 C6 -3.1(4) . . . . ?
C3 C4 C5 C6 167.6(2) . . . . ?
O2 C5 C6 C7 172.6(2) . . . . ?
C4 C5 C6 C7 -4.3(4) . . . . ?
C5 C6 C7 C8 3.7(4) . . . . ?
C6 C7 C8 C9 4.3(4) . . . . ?
C6 C7 C8 C13 -170.6(2) . . . . ?
C7 C8 C9 C4 -11.6(3) . . . . ?
C13 C8 C9 C4 163.3(2) . . . . ?
C7 C8 C9 C10 174.5(2) . . . . ?
C13 C8 C9 C10 -10.6(3) . . . . ?
C5 C4 C9 C8 10.9(3) . . . . ?
C3 C4 C9 C8 -158.8(2) . . . . ?
C5 C4 C9 C10 -175.5(2) . . . . ?
C3 C4 C9 C10 14.8(4) . . . . ?
C8 C9 C10 C11 21.3(3) . . . . ?
C4 C9 C10 C11 -152.3(2) . . . . ?
C8 C9 C10 C17 -160.6(2) . . . . ?
C4 C9 C10 C17 25.8(4) . . . . ?
C17 C10 C11 C12 163.4(2) . . . . ?
C9 C10 C11 C12 -18.3(3) . . . . ?
C17 C10 C11 C14 -18.2(3) . . . . ?
C9 C10 C11 C14 160.0(2) . . . . ?
C10 C11 C12 C13 4.2(4) . . . . ?
C14 C11 C12 C13 -174.1(2) . . . . ?
C11 C12 C13 C8 7.3(4) . . . . ?
C9 C8 C13 C12 -3.8(4) . . . . ?
C7 C8 C13 C12 171.0(2) . . . . ?
C10 C11 C14 C15 0.6(4) . . . . ?
C12 C11 C14 C15 178.9(2) . . . . ?
C11 C14 C15 C16 11.4(4) . . . . ?
C14 C15 C16 C17 -5.1(4) . . . . ?
C14 C15 C16 C21 171.2(2) . . . . ?
C15 C16 C17 C10 -12.8(3) . . . . ?
C21 C16 C17 C10 171.0(2) . . . . ?
C15 C16 C17 C18 160.7(2) . . . . ?
C21 C16 C17 C18 -15.5(3) . . . . ?
C11 C10 C17 C16 24.2(3) . . . . ?
C9 C10 C17 C16 -153.9(2) . . . . ?
C11 C10 C17 C18 -148.9(2) . . . . ?
C9 C10 C17 C18 33.0(4) . . . . ?
C16 C17 C18 C22 -157.1(2) . . . . ?
C10 C17 C18 C22 16.0(4) . . . . ?
C16 C17 C18 C19 14.0(3) . . . . ?
C10 C17 C18 C19 -172.9(2) . . . . ?
C22 C18 C19 C25 -6.8(3) . . . . ?
C17 C18 C19 C25 -178.3(2) . . . . ?
C22 C18 C19 C20 168.6(2) . . . . ?
C17 C18 C19 C20 -2.9(3) . . . . ?
C25 C19 C20 C21 168.1(2) . . . . ?
C18 C19 C20 C21 -7.2(4) . . . . ?
C19 C20 C21 C16 6.0(4) . . . . ?
C17 C16 C21 C20 5.6(4) . . . . ?
C15 C16 C21 C20 -170.6(2) . . . . ?
C19 C18 C22 C23 2.1(3) . . . . ?
C17 C18 C22 C23 173.2(2) . . . . ?
C18 C22 C23 O4 -173.4(2) . . . . ?
C18 C22 C23 C24 3.8(4) . . . . ?
C28 O4 C23 C22 176.4(2) . . . . ?
C28 O4 C23 C24 -0.9(3) . . . . ?
C22 C23 C24 C25 -4.9(4) . . . . ?
O4 C23 C24 C25 172.3(2) . . . . ?
C22 C23 C24 C26 178.2(2) . . . . ?
O4 C23 C24 C26 -4.6(4) . . . . ?
C23 C24 C25 C19 -0.1(4) . . . . ?
C26 C24 C25 C19 176.6(2) . . . . ?
C18 C19 C25 C24 5.9(4) . . . . ?
C20 C19 C25 C24 -169.5(2) . . . . ?
C25 C24 C26 C27 -171.8(3) . . . . ?
C23 C24 C26 C27 5.0(4) . . . . ?
C24 C26 C27 C28 0.1(4) . . . . ?
C23 O4 C28 O3 -174.4(2) . . . . ?
C23 O4 C28 C27 5.9(3) . . . . ?
C26 C27 C28 O3 174.8(3) . . . . ?
C26 C27 C28 O4 -5.6(4) . . . . ?

_refine_diff_density_max    0.278
_refine_diff_density_min   -0.292
_refine_diff_density_rms    0.067

