 
data_18034
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C24 H23 F3'
_chemical_formula_sum
 'C24 H23 F3' 
_chemical_formula_weight          368.42

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'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            15
_space_group_name_H-M_alt         'C 2/c'
_space_group_name_Hall            '-C 2yc'
 
_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+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a                    18.8921(14)
_cell_length_b                    14.4381(7)
_cell_length_c                    14.5290(11)
_cell_angle_alpha                 90
_cell_angle_beta                  97.589(2)
_cell_angle_gamma                 90
_cell_volume                      3928.3(5)
_cell_formula_units_Z             8
_cell_measurement_temperature     173(2)
_cell_measurement_reflns_used      1603
_cell_measurement_theta_min        2.83
_cell_measurement_theta_max       20.25
 
_exptl_crystal_description        plate
_exptl_crystal_colour             colorless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.246          
_exptl_crystal_F_000              1552
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.120
_exptl_crystal_size_mid           0.110
_exptl_crystal_size_min           0.030
_exptl_absorpt_coefficient_mu     0.091
_shelx_estimated_absorpt_T_min    0.989
_shelx_estimated_absorpt_T_max    0.997
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.6241  
_exptl_absorpt_correction_T_max   0.7452
_exptl_absorpt_process_details    'SADABS, G. Sheldrick; 2016'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       173(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    'sealed tube'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_details  
 '0.50 degree frames measured for 180 seconds each' 
_diffrn_measurement_method        'omega and phi scans' 
_diffrn_measurement_device        'APEX Kappa Duo' 
_diffrn_measurement_device_type   'Kappa' 
_diffrn_detector                  'CCD area detector' 
_diffrn_detector_type             'Bruker APEXII'
_diffrn_detector_area_resol_mean  83.33
_diffrn_reflns_number             10802
_diffrn_reflns_av_unetI/netI      0.0855
_diffrn_reflns_av_R_equivalents   0.0566
_diffrn_reflns_limit_h_min        -22
_diffrn_reflns_limit_h_max        22
_diffrn_reflns_limit_k_min        -17
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_theta_min          2.175
_diffrn_reflns_theta_max          25.052
_diffrn_reflns_theta_full         25.052
_diffrn_measured_fraction_theta_max   0.998
_diffrn_measured_fraction_theta_full  0.998
_diffrn_reflns_Laue_measured_fraction_max    0.998
_diffrn_reflns_Laue_measured_fraction_full   0.998
_diffrn_reflns_point_group_measured_fraction_max   0.998
_diffrn_reflns_point_group_measured_fraction_full  0.998
_reflns_number_total              3481
_reflns_number_gt                 1885
_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        'APEX II v2014.11-0 (Bruker, 2014)' 
_computing_cell_refinement        'APEX II v2014.11-0 (Bruker, 2014)' 
_computing_data_reduction         'APEX II v2014.11-0 (Bruker, 2014)'  
_computing_structure_solution     'SHELX (Bruker, 2017)' 
_computing_structure_refinement   'SHELXL-2014/7 (Sheldrick, 2017)' 
_computing_molecular_graphics     'SHELXTL (Bruker, 20167)' 
_computing_publication_material   'SHELXTL (Bruker, 2017)'
_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)+(0.0616P)²+2.1430P] 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          3481
_refine_ls_number_parameters      257
_refine_ls_number_restraints      279
_refine_ls_R_factor_all           0.1338
_refine_ls_R_factor_gt            0.0580
_refine_ls_wR_factor_ref          0.1502
_refine_ls_wR_factor_gt           0.1237
_refine_ls_goodness_of_fit_ref    1.019
_refine_ls_restrained_S_all       1.014
_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
C1 C 0.45408(15) 0.1949(2) 0.4953(2) 0.0373(8) Uani 1 1 d . U . . .
H1 H 0.4497 0.1434 0.4489 0.045 Uiso 1 1 calc R U . . .
C2 C 0.52939(16) 0.1887(2) 0.5476(2) 0.0381(8) Uani 1 1 d . U . . .
H2 H 0.5356 0.2418 0.5922 0.046 Uiso 1 1 calc R U . . .
C3 C 0.54178(16) 0.10043(19) 0.6037(2) 0.0370(8) Uani 1 1 d . U . . .
H3A H 0.5898 0.1015 0.6388 0.056 Uiso 1 1 calc R U . . .
H3B H 0.5373 0.0470 0.5618 0.056 Uiso 1 1 calc R U . . .
H3C H 0.5062 0.0957 0.6469 0.056 Uiso 1 1 calc R U . . .
C4 C 0.58421(15) 0.20010(19) 0.4810(2) 0.0316(7) Uani 1 1 d . U . . .
C5 C 0.62704(15) 0.27737(18) 0.4840(2) 0.0321(7) Uani 1 1 d . U . . .
H5 H 0.6219 0.3241 0.5287 0.039 Uiso 1 1 calc R U . . .
C6 C 0.67745(15) 0.28908(19) 0.4239(2) 0.0323(7) Uani 1 1 d . U . . .
C7 C 0.68521(16) 0.2207(2) 0.3593(2) 0.0360(7) Uani 1 1 d . U . . .
H7 H 0.7203 0.2278 0.3186 0.043 Uiso 1 1 calc R U . . .
C8 C 0.64259(16) 0.1417(2) 0.3528(2) 0.0353(7) Uani 1 1 d . U . . .
C9 C 0.59258(16) 0.1330(2) 0.4142(2) 0.0362(8) Uani 1 1 d . U . . .
H9 H 0.5631 0.0796 0.4107 0.043 Uiso 1 1 calc R U . . .
C10 C 0.72322(18) 0.3754(2) 0.4288(2) 0.0501(10) Uani 1 1 d . U . . .
H10A H 0.7193 0.4042 0.3672 0.075 Uiso 1 1 calc R U . . .
H10B H 0.7731 0.3588 0.4491 0.075 Uiso 1 1 calc R U . . .
H10C H 0.7069 0.4192 0.4730 0.075 Uiso 1 1 calc R U . . .
C11 C 0.6503(2) 0.0679(2) 0.2812(3) 0.0596(11) Uani 1 1 d . U . . .
H11A H 0.6674 0.0105 0.3126 0.089 Uiso 1 1 calc R U . . .
H11B H 0.6845 0.0885 0.2404 0.089 Uiso 1 1 calc R U . . .
H11C H 0.6038 0.0567 0.2442 0.089 Uiso 1 1 calc R U . . .
C12 C 0.39266(15) 0.18259(19) 0.5529(2) 0.0323(7) Uani 1 1 d . U . . .
C13 C 0.33136(17) 0.1386(2) 0.5119(2) 0.0445(8) Uani 1 1 d . U . . .
H13 H 0.3304 0.1131 0.4515 0.053 Uiso 1 1 calc R U . . .
C14 C 0.27221(18) 0.1311(2) 0.5564(3) 0.0510(9) Uani 1 1 d . U . . .
H14 H 0.2308 0.1005 0.5267 0.061 Uiso 1 1 calc R U . . .
C15 C 0.27223(18) 0.1674(2) 0.6433(3) 0.0498(9) Uani 1 1 d . U . . .
H15 H 0.2306 0.1632 0.6734 0.060 Uiso 1 1 calc R U . . .
C16 C 0.33251(17) 0.2100(2) 0.6870(2) 0.0441(8) Uani 1 1 d . U . . .
H16 H 0.3331 0.2340 0.7480 0.053 Uiso 1 1 calc R U . . .
C17 C 0.39246(16) 0.21765(19) 0.6418(2) 0.0380(8) Uani 1 1 d . U . . .
H17 H 0.4340 0.2473 0.6722 0.046 Uiso 1 1 calc R U . . .
C18 C 0.44216(14) 0.28484(19) 0.4397(2) 0.0302(7) Uani 1 1 d . U . . .
C19 C 0.43601(16) 0.3701(2) 0.4824(2) 0.0376(8) Uani 1 1 d . U . . .
H19 H 0.4408 0.3732 0.5482 0.045 Uiso 1 1 calc R U . . .
C20 C 0.42305(16) 0.4506(2) 0.4311(2) 0.0370(8) Uani 1 1 d . U . . .
H20 H 0.4193 0.5082 0.4618 0.044 Uiso 1 1 calc R U . . .
C21 C 0.41555(14) 0.44710(18) 0.3349(2) 0.0294(7) Uani 1 1 d . U . . .
C22 C 0.42256(15) 0.36293(19) 0.2921(2) 0.0323(7) Uani 1 1 d . U . . .
H22 H 0.4181 0.3596 0.2263 0.039 Uiso 1 1 calc R U . . .
C23 C 0.43605(15) 0.28321(19) 0.3444(2) 0.0319(7) Uani 1 1 d . U . . .
H23 H 0.4412 0.2260 0.3137 0.038 Uiso 1 1 calc R U . . .
C24 C 0.39762(17) 0.5323(2) 0.2802(2) 0.0433(8) Uani 0.601(16) 1 d D U P A 1
F1 F 0.3276(3) 0.5490(7) 0.2648(8) 0.0649(19) Uani 0.601(16) 1 d D U P A 1
F2 F 0.4171(6) 0.5215(10) 0.1923(5) 0.0522(18) Uani 0.601(16) 1 d D U P A 1
F3 F 0.4305(7) 0.6092(10) 0.3142(14) 0.052(2) Uani 0.601(16) 1 d D U P A 1
C24D C 0.39762(17) 0.5323(2) 0.2802(2) 0.0433(8) Uani 0.399(16) 1 d D U P A 2
F1D F 0.3348(5) 0.5702(10) 0.2993(11) 0.0649(19) Uani 0.399(16) 1 d D U P A 2
F2D F 0.3949(9) 0.5297(15) 0.1897(7) 0.0522(18) Uani 0.399(16) 1 d D U P A 2
F3D F 0.4449(11) 0.6006(15) 0.311(2) 0.052(2) Uani 0.399(16) 1 d D U P A 2
 
 
_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
C1 C2 1.524(4) . ?
C1 C12 1.528(4) . ?
C1 C18 1.531(4) . ?
C1 H1 1.0000 . ?
C2 C3 1.515(4) . ?
C2 C4 1.517(4) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.375(4) . ?
C4 C9 1.394(4) . ?
C5 C6 1.385(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(4) . ?
C6 C10 1.514(4) . ?
C7 C8 1.392(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.389(4) . ?
C8 C11 1.510(4) . ?
C9 H9 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.385(4) . ?
C12 C17 1.388(4) . ?
C13 C14 1.367(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.368(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.374(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.374(4) . ?
C18 C19 1.390(4) . ?
C19 C20 1.385(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.387(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.380(4) . ?
C21 C24D 1.479(4) . ?
C21 C24 1.479(4) . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 F1 1.334(6) . ?
C24 F3 1.334(8) . ?
C24 F2 1.384(7) . ?
C24D F2D 1.310(10) . ?
C24D F3D 1.364(11) . ?
C24D F1D 1.367(9) . ?
 
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
C2 C1 C12 116.5(2) . . ?
C2 C1 C18 112.0(2) . . ?
C12 C1 C18 108.6(2) . . ?
C2 C1 H1 106.4 . . ?
C12 C1 H1 106.4 . . ?
C18 C1 H1 106.4 . . ?
C3 C2 C4 111.4(2) . . ?
C3 C2 C1 112.6(2) . . ?
C4 C2 C1 110.3(2) . . ?
C3 C2 H2 107.4 . . ?
C4 C2 H2 107.4 . . ?
C1 C2 H2 107.4 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 117.7(3) . . ?
C5 C4 C2 121.1(3) . . ?
C9 C4 C2 121.2(3) . . ?
C4 C5 C6 122.0(3) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C7 C6 C5 119.0(3) . . ?
C7 C6 C10 120.5(3) . . ?
C5 C6 C10 120.5(3) . . ?
C6 C7 C8 121.3(3) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C9 C8 C7 117.8(3) . . ?
C9 C8 C11 120.9(3) . . ?
C7 C8 C11 121.3(3) . . ?
C8 C9 C4 122.3(3) . . ?
C8 C9 H9 118.9 . . ?
C4 C9 H9 118.9 . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C17 117.6(3) . . ?
C13 C12 C1 118.0(3) . . ?
C17 C12 C1 124.3(3) . . ?
C14 C13 C12 121.5(3) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C15 120.4(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C16 119.8(3) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C17 119.7(3) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C12 121.0(3) . . ?
C16 C17 H17 119.5 . . ?
C12 C17 H17 119.5 . . ?
C23 C18 C19 117.7(3) . . ?
C23 C18 C1 120.3(3) . . ?
C19 C18 C1 122.0(3) . . ?
C20 C19 C18 121.5(3) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C19 C20 C21 119.9(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 118.9(3) . . ?
C22 C21 C24D 121.3(3) . . ?
C20 C21 C24D 119.7(3) . . ?
C22 C21 C24 121.3(3) . . ?
C20 C21 C24 119.7(3) . . ?
C21 C22 C23 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C18 C23 C22 121.6(3) . . ?
C18 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
F1 C24 F3 108.3(7) . . ?
F1 C24 F2 104.2(5) . . ?
F3 C24 F2 105.5(9) . . ?
F1 C24 C21 113.1(5) . . ?
F3 C24 C21 115.5(10) . . ?
F2 C24 C21 109.3(6) . . ?
F2D C24D F3D 106.4(15) . . ?
F2D C24D F1D 107.2(8) . . ?
F3D C24D F1D 101.2(11) . . ?
F2D C24D C21 119.4(9) . . ?
F3D C24D C21 109.5(14) . . ?
F1D C24D C21 111.5(7) . . ?
 
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
C12 C1 C2 C3 53.6(4) . . . . ?
C18 C1 C2 C3 179.5(3) . . . . ?
C12 C1 C2 C4 178.7(2) . . . . ?
C18 C1 C2 C4 -55.4(3) . . . . ?
C3 C2 C4 C5 -122.5(3) . . . . ?
C1 C2 C4 C5 111.6(3) . . . . ?
C3 C2 C4 C9 58.0(4) . . . . ?
C1 C2 C4 C9 -67.9(3) . . . . ?
C9 C4 C5 C6 -0.5(4) . . . . ?
C2 C4 C5 C6 179.9(2) . . . . ?
C4 C5 C6 C7 -0.4(4) . . . . ?
C4 C5 C6 C10 179.5(3) . . . . ?
C5 C6 C7 C8 1.1(4) . . . . ?
C10 C6 C7 C8 -178.7(3) . . . . ?
C6 C7 C8 C9 -0.9(4) . . . . ?
C6 C7 C8 C11 179.0(3) . . . . ?
C7 C8 C9 C4 0.0(4) . . . . ?
C11 C8 C9 C4 -180.0(3) . . . . ?
C5 C4 C9 C8 0.7(4) . . . . ?
C2 C4 C9 C8 -179.7(3) . . . . ?
C2 C1 C12 C13 -145.4(3) . . . . ?
C18 C1 C12 C13 87.0(3) . . . . ?
C2 C1 C12 C17 38.7(4) . . . . ?
C18 C1 C12 C17 -88.9(3) . . . . ?
C17 C12 C13 C14 1.1(4) . . . . ?
C1 C12 C13 C14 -175.1(3) . . . . ?
C12 C13 C14 C15 0.1(5) . . . . ?
C13 C14 C15 C16 -1.4(5) . . . . ?
C14 C15 C16 C17 1.4(5) . . . . ?
C15 C16 C17 C12 -0.3(5) . . . . ?
C13 C12 C17 C16 -1.0(4) . . . . ?
C1 C12 C17 C16 174.9(3) . . . . ?
C2 C1 C18 C23 109.0(3) . . . . ?
C12 C1 C18 C23 -120.9(3) . . . . ?
C2 C1 C18 C19 -72.0(4) . . . . ?
C12 C1 C18 C19 58.1(3) . . . . ?
C23 C18 C19 C20 1.0(4) . . . . ?
C1 C18 C19 C20 -178.0(3) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
C19 C20 C21 C22 -1.2(4) . . . . ?
C19 C20 C21 C24D 176.5(3) . . . . ?
C19 C20 C21 C24 176.5(3) . . . . ?
C20 C21 C22 C23 0.7(4) . . . . ?
C24D C21 C22 C23 -176.9(3) . . . . ?
C24 C21 C22 C23 -176.9(3) . . . . ?
C19 C18 C23 C22 -1.5(4) . . . . ?
C1 C18 C23 C22 177.5(2) . . . . ?
C21 C22 C23 C18 0.6(4) . . . . ?
C22 C21 C24 F1 92.3(7) . . . . ?
C20 C21 C24 F1 -85.3(7) . . . . ?
C22 C21 C24 F3 -142.0(8) . . . . ?
C20 C21 C24 F3 40.3(9) . . . . ?
C22 C21 C24 F2 -23.2(6) . . . . ?
C20 C21 C24 F2 159.1(6) . . . . ?
C22 C21 C24D F2D -6.5(10) . . . . ?
C20 C21 C24D F2D 175.9(10) . . . . ?
C22 C21 C24D F3D -129.4(12) . . . . ?
C20 C21 C24D F3D 53.0(12) . . . . ?
C22 C21 C24D F1D 119.4(7) . . . . ?
C20 C21 C24D F1D -58.2(7) . . . . ?
 
_refine_diff_density_max    0.420
_refine_diff_density_min   -0.198
_refine_diff_density_rms    0.047



