# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1528295'
_audit_update_record             
;
2017-01-18 deposited with the CCDC.
2017-07-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22 N2 O2'
_chemical_formula_weight         382.44

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'
N N 0.0061 0.0033 '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      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                   7.2467(5)
_cell_length_b                   10.8572(7)
_cell_length_c                   13.9575(9)
_cell_angle_alpha                106.546(2)
_cell_angle_beta                 90.819(2)
_cell_angle_gamma                107.578(2)
_cell_volume                     997.47(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3274
_cell_measurement_theta_min      2.921
_cell_measurement_theta_max      24.406

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_F_000             404
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.081
_shelx_estimated_absorpt_T_min   0.987
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.978

_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(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            16658
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.921
_diffrn_reflns_theta_max         24.406
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.908
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.908
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.908
_reflns_number_total             3274
_reflns_number_gt                2612
_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 XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    SIR-92
_computing_structure_refinement  'SHELXL-2014 (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)+(0.0377P)²+0.4872P] 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         3274
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0433
_refine_ls_wR_factor_ref         0.1005
_refine_ls_wR_factor_gt          0.0928
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_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 0.4916(3) 0.24725(19) 0.36852(14) 0.0196(4) Uani 1 1 d . . . . .
H1 H 0.5456 0.3325 0.4152 0.023 Uiso 1 1 calc R U . . .
C2 C 0.5496(3) 0.20729(18) 0.27505(13) 0.0148(4) Uani 1 1 d . . . . .
C3 C 0.4262(3) 0.06997(18) 0.22871(13) 0.0154(4) Uani 1 1 d . . . . .
C4 C 0.2967(3) 0.03449(18) 0.29850(13) 0.0175(4) Uani 1 1 d . . . . .
C5 C 0.1473(3) -0.08925(19) 0.27536(15) 0.0229(5) Uani 1 1 d . . . . .
H5 H 0.0614 -0.1098 0.3217 0.028 Uiso 1 1 calc R U . . .
C6 C 0.1319(3) -0.1798(2) 0.18124(15) 0.0261(5) Uani 1 1 d . . . . .
H6 H 0.0342 -0.2633 0.1638 0.031 Uiso 1 1 calc R U . . .
C7 C 0.2605(3) -0.14850(19) 0.11117(15) 0.0231(5) Uani 1 1 d . . . . .
H7 H 0.2475 -0.2119 0.0484 0.028 Uiso 1 1 calc R U . . .
C8 C 0.4063(3) -0.02505(18) 0.13389(13) 0.0175(4) Uani 1 1 d . . . . .
H8 H 0.4904 -0.0051 0.0867 0.021 Uiso 1 1 calc R U . . .
C9 C 0.6982(3) 0.29429(17) 0.22606(13) 0.0155(4) Uani 1 1 d . . . . .
H9 H 0.6265 0.2989 0.1678 0.019 Uiso 1 1 calc R U . . .
C10 C 0.8551(3) 0.23460(17) 0.18515(13) 0.0148(4) Uani 1 1 d . . . . .
C11 C 0.8765(3) 0.11354(18) 0.18384(13) 0.0168(4) Uani 1 1 d . . . . .
H11 H 0.7997 0.0537 0.2147 0.020 Uiso 1 1 calc R U . . .
C12 C 1.1097(3) 0.20204(18) 0.09642(13) 0.0169(4) Uani 1 1 d . . . . .
C13 C 1.0053(3) 0.29403(17) 0.12987(13) 0.0154(4) Uani 1 1 d . . . . .
C14 C 1.0583(3) 0.41486(18) 0.10424(13) 0.0195(4) Uani 1 1 d . . . . .
H14 H 0.9926 0.4776 0.1261 0.023 Uiso 1 1 calc R U . . .
C15 C 1.2093(3) 0.4392(2) 0.04610(15) 0.0249(5) Uani 1 1 d . . . . .
H15 H 1.2451 0.5190 0.0286 0.030 Uiso 1 1 calc R U . . .
C16 C 1.3098(3) 0.3457(2) 0.01288(15) 0.0252(5) Uani 1 1 d . . . . .
H16 H 1.4108 0.3645 -0.0265 0.030 Uiso 1 1 calc R U . . .
C17 C 1.2620(3) 0.2266(2) 0.03732(14) 0.0220(5) Uani 1 1 d . . . . .
H17 H 1.3290 0.1647 0.0152 0.026 Uiso 1 1 calc R U . . .
C18 C 0.7813(3) 0.43928(17) 0.29501(13) 0.0150(4) Uani 1 1 d . . . . .
C19 C 0.9509(3) 0.48241(18) 0.35843(13) 0.0179(4) Uani 1 1 d . . . . .
H19 H 1.0194 0.4224 0.3582 0.021 Uiso 1 1 calc R U . . .
C20 C 1.0214(3) 0.61519(18) 0.42319(13) 0.0188(4) Uani 1 1 d . . . . .
H20 H 1.1359 0.6430 0.4657 0.023 Uiso 1 1 calc R U . . .
C21 C 0.9209(3) 0.70471(17) 0.42387(13) 0.0153(4) Uani 1 1 d . . . . .
C22 C 0.7478(3) 0.66229(18) 0.35952(13) 0.0168(4) Uani 1 1 d . . . . .
C23 C 0.6796(3) 0.53081(18) 0.29597(13) 0.0182(4) Uani 1 1 d . . . . .
H23 H 0.5650 0.5027 0.2534 0.022 Uiso 1 1 calc R U . . .
C24 C 0.4998(3) 0.7280(2) 0.29257(17) 0.0355(6) Uani 1 1 d . . . . .
H24A H 0.4509 0.8034 0.3049 0.053 Uiso 1 1 calc R U . . .
H24B H 0.5425 0.7099 0.2267 0.053 Uiso 1 1 calc R U . . .
H24C H 0.3984 0.6495 0.2968 0.053 Uiso 1 1 calc R U . . .
C25 C 1.1632(3) 0.8898(2) 0.54137(15) 0.0286(5) Uani 1 1 d . . . . .
H25A H 1.1867 0.9830 0.5794 0.043 Uiso 1 1 calc R U . . .
H25B H 1.1651 0.8378 0.5864 0.043 Uiso 1 1 calc R U . . .
H25C H 1.2627 0.8834 0.4973 0.043 Uiso 1 1 calc R U . . .
N1 N 0.3422(2) 0.14379(16) 0.38384(11) 0.0222(4) Uani 1 1 d . . . . .
H1P H 0.2864 0.1470 0.4381 0.027 Uiso 1 1 calc R U . . .
N2 N 1.0279(2) 0.09266(15) 0.13031(11) 0.0184(4) Uani 1 1 d . . . . .
H2P H 1.0653 0.0224 0.1197 0.022 Uiso 1 1 calc R U . . .
O1 O 0.97677(18) 0.83797(12) 0.48310(9) 0.0193(3) Uani 1 1 d . . . . .
O2 O 0.65987(19) 0.75971(13) 0.36605(10) 0.0248(3) 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
C1 C2 1.368(2) . ?
C1 N1 1.374(2) . ?
C1 H1 0.9300 . ?
C2 C3 1.439(2) . ?
C2 C9 1.514(2) . ?
C3 C8 1.401(3) . ?
C3 C4 1.414(2) . ?
C4 N1 1.372(2) . ?
C4 C5 1.395(3) . ?
C5 C6 1.378(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.402(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.380(3) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.514(2) . ?
C9 C18 1.521(2) . ?
C9 H9 0.9800 . ?
C10 C11 1.364(3) . ?
C10 C13 1.442(2) . ?
C11 N2 1.375(2) . ?
C11 H11 0.9300 . ?
C12 N2 1.374(2) . ?
C12 C17 1.394(3) . ?
C12 C13 1.410(3) . ?
C13 C14 1.401(3) . ?
C14 C15 1.378(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.402(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.378(3) . ?
C18 C23 1.402(3) . ?
C19 C20 1.399(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.377(3) . ?
C20 H20 0.9300 . ?
C21 O1 1.377(2) . ?
C21 C22 1.405(3) . ?
C22 O2 1.374(2) . ?
C22 C23 1.382(2) . ?
C23 H23 0.9300 . ?
C24 O2 1.428(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 O1 1.433(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N1 H1P 0.8600 . ?
N2 H2P 0.8600 . ?

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 N1 110.50(16) . . ?
C2 C1 H1 124.7 . . ?
N1 C1 H1 124.7 . . ?
C1 C2 C3 105.93(15) . . ?
C1 C2 C9 127.01(16) . . ?
C3 C2 C9 126.77(15) . . ?
C8 C3 C4 118.32(16) . . ?
C8 C3 C2 134.36(17) . . ?
C4 C3 C2 107.25(15) . . ?
N1 C4 C5 129.96(17) . . ?
N1 C4 C3 107.42(16) . . ?
C5 C4 C3 122.52(17) . . ?
C6 C5 C4 117.41(18) . . ?
C6 C5 H5 121.3 . . ?
C4 C5 H5 121.3 . . ?
C5 C6 C7 121.33(18) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 121.02(18) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C3 119.37(17) . . ?
C7 C8 H8 120.3 . . ?
C3 C8 H8 120.3 . . ?
C10 C9 C2 114.10(15) . . ?
C10 C9 C18 112.60(14) . . ?
C2 C9 C18 111.17(14) . . ?
C10 C9 H9 106.1 . . ?
C2 C9 H9 106.1 . . ?
C18 C9 H9 106.1 . . ?
C11 C10 C13 106.13(15) . . ?
C11 C10 C9 129.18(16) . . ?
C13 C10 C9 124.46(16) . . ?
C10 C11 N2 110.24(16) . . ?
C10 C11 H11 124.9 . . ?
N2 C11 H11 124.9 . . ?
N2 C12 C17 130.63(17) . . ?
N2 C12 C13 107.31(15) . . ?
C17 C12 C13 122.03(17) . . ?
C14 C13 C12 118.98(16) . . ?
C14 C13 C10 133.78(17) . . ?
C12 C13 C10 107.22(16) . . ?
C15 C14 C13 118.91(18) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 121.12(18) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C17 C16 C15 121.34(17) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C16 C17 C12 117.61(18) . . ?
C16 C17 H17 121.2 . . ?
C12 C17 H17 121.2 . . ?
C19 C18 C23 118.99(17) . . ?
C19 C18 C9 121.96(16) . . ?
C23 C18 C9 119.03(16) . . ?
C18 C19 C20 120.89(17) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C21 C20 C19 119.89(17) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
O1 C21 C20 125.24(17) . . ?
O1 C21 C22 114.88(16) . . ?
C20 C21 C22 119.88(16) . . ?
O2 C22 C23 125.25(17) . . ?
O2 C22 C21 115.07(15) . . ?
C23 C22 C21 119.68(17) . . ?
C22 C23 C18 120.66(17) . . ?
C22 C23 H23 119.7 . . ?
C18 C23 H23 119.7 . . ?
O2 C24 H24A 109.5 . . ?
O2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 H25A 109.5 . . ?
O1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C4 N1 C1 108.86(15) . . ?
C4 N1 H1P 125.6 . . ?
C1 N1 H1P 125.6 . . ?
C12 N2 C11 109.08(15) . . ?
C12 N2 H2P 125.5 . . ?
C11 N2 H2P 125.5 . . ?
C21 O1 C25 116.70(15) . . ?
C22 O2 C24 117.19(15) . . ?

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
N1 C1 C2 C3 0.7(2) . . . . ?
N1 C1 C2 C9 174.73(17) . . . . ?
C1 C2 C3 C8 177.3(2) . . . . ?
C9 C2 C3 C8 3.2(3) . . . . ?
C1 C2 C3 C4 0.4(2) . . . . ?
C9 C2 C3 C4 -173.68(17) . . . . ?
C8 C3 C4 N1 -178.76(16) . . . . ?
C2 C3 C4 N1 -1.3(2) . . . . ?
C8 C3 C4 C5 -2.0(3) . . . . ?
C2 C3 C4 C5 175.51(18) . . . . ?
N1 C4 C5 C6 177.73(19) . . . . ?
C3 C4 C5 C6 1.7(3) . . . . ?
C4 C5 C6 C7 -0.4(3) . . . . ?
C5 C6 C7 C8 -0.6(3) . . . . ?
C6 C7 C8 C3 0.4(3) . . . . ?
C4 C3 C8 C7 0.9(3) . . . . ?
C2 C3 C8 C7 -175.7(2) . . . . ?
C1 C2 C9 C10 128.5(2) . . . . ?
C3 C2 C9 C10 -58.6(2) . . . . ?
C1 C2 C9 C18 -0.1(3) . . . . ?
C3 C2 C9 C18 172.71(17) . . . . ?
C2 C9 C10 C11 2.2(3) . . . . ?
C18 C9 C10 C11 130.14(19) . . . . ?
C2 C9 C10 C13 175.97(16) . . . . ?
C18 C9 C10 C13 -56.1(2) . . . . ?
C13 C10 C11 N2 -0.9(2) . . . . ?
C9 C10 C11 N2 173.78(17) . . . . ?
N2 C12 C13 C14 -179.25(15) . . . . ?
C17 C12 C13 C14 -1.0(3) . . . . ?
N2 C12 C13 C10 -0.41(19) . . . . ?
C17 C12 C13 C10 177.83(16) . . . . ?
C11 C10 C13 C14 179.38(19) . . . . ?
C9 C10 C13 C14 4.4(3) . . . . ?
C11 C10 C13 C12 0.8(2) . . . . ?
C9 C10 C13 C12 -174.19(16) . . . . ?
C12 C13 C14 C15 0.8(3) . . . . ?
C10 C13 C14 C15 -177.68(19) . . . . ?
C13 C14 C15 C16 -0.2(3) . . . . ?
C14 C15 C16 C17 -0.2(3) . . . . ?
C15 C16 C17 C12 0.0(3) . . . . ?
N2 C12 C17 C16 178.38(18) . . . . ?
C13 C12 C17 C16 0.6(3) . . . . ?
C10 C9 C18 C19 -35.6(2) . . . . ?
C2 C9 C18 C19 93.8(2) . . . . ?
C10 C9 C18 C23 146.05(16) . . . . ?
C2 C9 C18 C23 -84.5(2) . . . . ?
C23 C18 C19 C20 0.1(3) . . . . ?
C9 C18 C19 C20 -178.16(15) . . . . ?
C18 C19 C20 C21 -0.1(3) . . . . ?
C19 C20 C21 O1 -179.13(16) . . . . ?
C19 C20 C21 C22 0.0(3) . . . . ?
O1 C21 C22 O2 -0.5(2) . . . . ?
C20 C21 C22 O2 -179.78(15) . . . . ?
O1 C21 C22 C23 179.29(15) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
O2 C22 C23 C18 179.78(16) . . . . ?
C21 C22 C23 C18 0.0(3) . . . . ?
C19 C18 C23 C22 -0.1(3) . . . . ?
C9 C18 C23 C22 178.29(15) . . . . ?
C5 C4 N1 C1 -174.7(2) . . . . ?
C3 C4 N1 C1 1.7(2) . . . . ?
C2 C1 N1 C4 -1.5(2) . . . . ?
C17 C12 N2 C11 -178.15(18) . . . . ?
C13 C12 N2 C11 -0.12(19) . . . . ?
C10 C11 N2 C12 0.6(2) . . . . ?
C20 C21 O1 C25 6.1(2) . . . . ?
C22 C21 O1 C25 -173.13(16) . . . . ?
C23 C22 O2 C24 -8.6(3) . . . . ?
C21 C22 O2 C24 171.25(17) . . . . ?

_refine_diff_density_max         0.193
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.048

_shelxl_version_number           2014-3

