# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_F618
_database_code_depnum_ccdc_archive 'CCDC 1455194'
_audit_update_record             
;
2016-02-23 deposited with the CCDC.
2016-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
(R,E)-2-(1-oxo-1-phenylpropan-2-ylidene)-4-phenyl-1,10b-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H20 O4'
_chemical_formula_weight         408.43

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   10.0372(4)
_cell_length_b                   13.0997(5)
_cell_length_c                   15.0079(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1973.30(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9193
_cell_measurement_theta_min      3.37
_cell_measurement_theta_max      70.85

_exptl_crystal_description       Rod
_exptl_crystal_colour            'white '
_exptl_crystal_density_meas      'Not Measured'
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_F_000             856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.510
_exptl_crystal_size_mid          0.209
_exptl_crystal_size_min          0.158
_exptl_absorpt_coefficient_mu    0.741
_shelx_estimated_absorpt_T_min   0.704
_shelx_estimated_absorpt_T_max   0.892
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5266
_exptl_absorpt_correction_T_max  0.7534
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41016
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         4.480
_diffrn_reflns_theta_max         70.914
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3810
_reflns_number_gt                3773
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.749
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0525P)²+0.3514P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0032(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 1605 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.04(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         3810
_refine_ls_number_parameters     282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_ref         0.0796
_refine_ls_wR_factor_gt          0.0793
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_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 0.73809(11) 0.75155(9) 0.43915(8) 0.0156(3) Uani 1 1 d . . . . .
O2 O 0.35825(11) 0.53345(9) 0.39984(8) 0.0168(3) Uani 1 1 d . . . . .
O3 O 0.75473(12) 0.59502(9) 0.48715(8) 0.0185(3) Uani 1 1 d . . . . .
O4 O 0.04759(12) 0.75935(10) 0.37203(9) 0.0216(3) Uani 1 1 d . . . . .
C1 C 0.67127(17) 0.83090(12) 0.39713(10) 0.0137(3) Uani 1 1 d . . . . .
C2 C 0.74913(16) 0.91460(13) 0.37523(11) 0.0163(3) Uani 1 1 d . . . . .
H2 H 0.8418 0.9149 0.3881 0.020 Uiso 1 1 calc R U . . .
C3 C 0.68972(18) 0.99771(13) 0.33438(11) 0.0177(3) Uani 1 1 d . . . . .
H3 H 0.7418 1.0551 0.3177 0.021 Uiso 1 1 calc R U . . .
C4 C 0.55314(18) 0.99670(13) 0.31789(12) 0.0193(4) Uani 1 1 d . . . . .
H4 H 0.5117 1.0542 0.2911 0.023 Uiso 1 1 calc R U . . .
C5 C 0.47758(17) 0.91222(13) 0.34044(11) 0.0171(3) Uani 1 1 d . . . . .
H5 H 0.3846 0.9123 0.3286 0.021 Uiso 1 1 calc R U . . .
C6 C 0.53589(17) 0.82700(12) 0.38025(11) 0.0139(3) Uani 1 1 d . . . . .
C7 C 0.45747(15) 0.73491(12) 0.40974(11) 0.0127(3) Uani 1 1 d . . . . .
H7 H 0.4167 0.7508 0.4689 0.015 Uiso 1 1 calc R U . . .
C8 C 0.54531(16) 0.64211(13) 0.42098(10) 0.0138(3) Uani 1 1 d . . . . .
C9 C 0.68364(16) 0.65659(12) 0.45133(10) 0.0138(3) Uani 1 1 d . . . . .
C10 C 0.34441(16) 0.70818(12) 0.34487(11) 0.0147(3) Uani 1 1 d . . . . .
H10A H 0.2801 0.7654 0.3419 0.018 Uiso 1 1 calc R U . . .
H10B H 0.3813 0.6971 0.2844 0.018 Uiso 1 1 calc R U . . .
C11 C 0.27507(16) 0.61347(12) 0.37595(11) 0.0145(3) Uani 1 1 d . . . . .
C12 C 0.49256(16) 0.54809(13) 0.41248(11) 0.0151(3) Uani 1 1 d . . . . .
C13 C 0.55941(18) 0.44698(13) 0.41490(12) 0.0185(4) Uani 1 1 d . . . . .
C14 C 0.68050(19) 0.43077(15) 0.37168(13) 0.0247(4) Uani 1 1 d . . . . .
H14 H 0.7224 0.4849 0.3402 0.030 Uiso 1 1 calc R U . . .
C15 C 0.7393(2) 0.33515(18) 0.37496(16) 0.0368(6) Uani 1 1 d . . . . .
H15 H 0.8222 0.3239 0.3460 0.044 Uiso 1 1 calc R U . . .
C16 C 0.6776(3) 0.25567(16) 0.42030(18) 0.0443(7) Uani 1 1 d . . . . .
H16 H 0.7194 0.1907 0.4234 0.053 Uiso 1 1 calc R U . . .
C17 C 0.5556(3) 0.27086(16) 0.46100(17) 0.0391(6) Uani 1 1 d . . . . .
H17 H 0.5125 0.2161 0.4909 0.047 Uiso 1 1 calc R U . . .
C18 C 0.4965(2) 0.36594(15) 0.45809(14) 0.0275(4) Uani 1 1 d . . . . .
H18 H 0.4124 0.3763 0.4857 0.033 Uiso 1 1 calc R U . . .
C19 C 0.14409(16) 0.59345(13) 0.37890(11) 0.0155(3) Uani 1 1 d . . . . .
C20 C 0.04852(17) 0.67163(13) 0.34402(11) 0.0161(3) Uani 1 1 d . . . . .
C21 C -0.04454(17) 0.64034(14) 0.27080(11) 0.0155(3) Uani 1 1 d . . . . .
C22 C -0.13997(17) 0.70986(14) 0.24172(12) 0.0189(4) Uani 1 1 d . . . . .
H22 H -0.1459 0.7749 0.2694 0.023 Uiso 1 1 calc R U . . .
C23 C -0.22644(19) 0.68563(15) 0.17304(12) 0.0223(4) Uani 1 1 d . . . . .
H23 H -0.2921 0.7333 0.1545 0.027 Uiso 1 1 calc R U . . .
C24 C -0.21670(18) 0.59083(15) 0.13115(11) 0.0208(4) Uani 1 1 d . . . . .
H24 H -0.2755 0.5740 0.0838 0.025 Uiso 1 1 calc R U . . .
C25 C -0.12149(17) 0.52141(14) 0.15860(12) 0.0188(4) Uani 1 1 d . . . . .
H25 H -0.1149 0.4570 0.1299 0.023 Uiso 1 1 calc R U . . .
C26 C -0.03536(17) 0.54533(13) 0.22798(11) 0.0162(3) Uani 1 1 d . . . . .
H26 H 0.0299 0.4973 0.2465 0.019 Uiso 1 1 calc R U . . .
C27 C 0.09111(17) 0.49350(14) 0.41506(12) 0.0200(4) Uani 1 1 d . . . . .
H27A H 0.1264 0.4368 0.3796 0.030 Uiso 1 1 calc R U . . .
H27B H -0.0064 0.4935 0.4118 0.030 Uiso 1 1 calc R U . . .
H27C H 0.1190 0.4855 0.4772 0.030 Uiso 1 1 calc R U . . .


_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 C9 1.371(2) . ?
O1 C1 1.3885(19) . ?
O2 C12 1.3748(19) . ?
O2 C11 1.387(2) . ?
O3 C9 1.204(2) . ?
O4 C20 1.224(2) . ?
C1 C6 1.383(2) . ?
C1 C2 1.386(2) . ?
C2 C3 1.384(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.507(2) . ?
C7 C8 1.511(2) . ?
C7 C10 1.536(2) . ?
C7 H7 1.0000 . ?
C8 C12 1.347(2) . ?
C8 C9 1.474(2) . ?
C10 C11 1.497(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C19 1.341(2) . ?
C12 C13 1.485(2) . ?
C13 C14 1.394(3) . ?
C13 C18 1.395(3) . ?
C14 C15 1.385(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.384(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.498(2) . ?
C19 C27 1.514(2) . ?
C20 C21 1.499(2) . ?
C21 C22 1.392(2) . ?
C21 C26 1.404(2) . ?
C22 C23 1.384(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.382(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(2) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 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
C9 O1 C1 123.18(13) . . ?
C12 O2 C11 121.36(13) . . ?
C6 C1 C2 122.67(15) . . ?
C6 C1 O1 122.01(15) . . ?
C2 C1 O1 115.31(14) . . ?
C3 C2 C1 118.96(15) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.68(16) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.23(16) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.99(16) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C1 C6 C5 117.46(15) . . ?
C1 C6 C7 119.27(15) . . ?
C5 C6 C7 123.19(15) . . ?
C6 C7 C8 111.84(13) . . ?
C6 C7 C10 112.47(13) . . ?
C8 C7 C10 108.57(13) . . ?
C6 C7 H7 107.9 . . ?
C8 C7 H7 107.9 . . ?
C10 C7 H7 107.9 . . ?
C12 C8 C9 121.17(15) . . ?
C12 C8 C7 119.72(14) . . ?
C9 C8 C7 118.73(14) . . ?
O3 C9 O1 115.55(14) . . ?
O3 C9 C8 127.62(15) . . ?
O1 C9 C8 116.82(14) . . ?
C11 C10 C7 109.57(13) . . ?
C11 C10 H10A 109.8 . . ?
C7 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
C7 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C19 C11 O2 115.69(15) . . ?
C19 C11 C10 128.90(15) . . ?
O2 C11 C10 115.28(13) . . ?
C8 C12 O2 121.75(15) . . ?
C8 C12 C13 129.47(15) . . ?
O2 C12 C13 108.78(15) . . ?
C14 C13 C18 119.67(18) . . ?
C14 C13 C12 121.22(17) . . ?
C18 C13 C12 119.05(17) . . ?
C15 C14 C13 119.5(2) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 120.3(2) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 120.19(19) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 119.8(2) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C13 120.5(2) . . ?
C17 C18 H18 119.8 . . ?
C13 C18 H18 119.8 . . ?
C11 C19 C20 118.85(15) . . ?
C11 C19 C27 121.69(15) . . ?
C20 C19 C27 119.45(14) . . ?
O4 C20 C19 121.81(15) . . ?
O4 C20 C21 120.24(16) . . ?
C19 C20 C21 117.92(14) . . ?
C22 C21 C26 118.81(16) . . ?
C22 C21 C20 118.66(16) . . ?
C26 C21 C20 122.47(16) . . ?
C23 C22 C21 120.99(17) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 119.72(17) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 119.97(16) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C26 120.36(16) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 120.15(16) . . ?
C25 C26 H26 119.9 . . ?
C21 C26 H26 119.9 . . ?
C19 C27 H27A 109.5 . . ?
C19 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C19 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
C9 O1 C1 C6 13.3(2) . . . . ?
C9 O1 C1 C2 -168.06(14) . . . . ?
C6 C1 C2 C3 -0.3(2) . . . . ?
O1 C1 C2 C3 -179.02(14) . . . . ?
C1 C2 C3 C4 1.4(2) . . . . ?
C2 C3 C4 C5 -1.4(3) . . . . ?
C3 C4 C5 C6 0.3(3) . . . . ?
C2 C1 C6 C5 -0.7(2) . . . . ?
O1 C1 C6 C5 177.86(15) . . . . ?
C2 C1 C6 C7 -177.41(15) . . . . ?
O1 C1 C6 C7 1.2(2) . . . . ?
C4 C5 C6 C1 0.8(2) . . . . ?
C4 C5 C6 C7 177.29(15) . . . . ?
C1 C6 C7 C8 -22.9(2) . . . . ?
C5 C6 C7 C8 160.61(15) . . . . ?
C1 C6 C7 C10 -145.41(15) . . . . ?
C5 C6 C7 C10 38.1(2) . . . . ?
C6 C7 C8 C12 -154.12(15) . . . . ?
C10 C7 C8 C12 -29.4(2) . . . . ?
C6 C7 C8 C9 32.9(2) . . . . ?
C10 C7 C8 C9 157.61(13) . . . . ?
C1 O1 C9 O3 178.44(14) . . . . ?
C1 O1 C9 C8 -2.7(2) . . . . ?
C12 C8 C9 O3 -15.4(3) . . . . ?
C7 C8 C9 O3 157.43(16) . . . . ?
C12 C8 C9 O1 165.84(15) . . . . ?
C7 C8 C9 O1 -21.3(2) . . . . ?
C6 C7 C10 C11 177.37(13) . . . . ?
C8 C7 C10 C11 53.06(17) . . . . ?
C12 O2 C11 C19 -170.16(14) . . . . ?
C12 O2 C11 C10 13.6(2) . . . . ?
C7 C10 C11 C19 137.15(18) . . . . ?
C7 C10 C11 O2 -47.17(18) . . . . ?
C9 C8 C12 O2 168.19(14) . . . . ?
C7 C8 C12 O2 -4.6(2) . . . . ?
C9 C8 C12 C13 -11.5(3) . . . . ?
C7 C8 C12 C13 175.76(16) . . . . ?
C11 O2 C12 C8 14.2(2) . . . . ?
C11 O2 C12 C13 -166.03(14) . . . . ?
C8 C12 C13 C14 -42.2(3) . . . . ?
O2 C12 C13 C14 138.11(16) . . . . ?
C8 C12 C13 C18 140.58(19) . . . . ?
O2 C12 C13 C18 -39.1(2) . . . . ?
C18 C13 C14 C15 -2.3(3) . . . . ?
C12 C13 C14 C15 -179.55(16) . . . . ?
C13 C14 C15 C16 0.5(3) . . . . ?
C14 C15 C16 C17 1.4(3) . . . . ?
C15 C16 C17 C18 -1.4(3) . . . . ?
C16 C17 C18 C13 -0.4(3) . . . . ?
C14 C13 C18 C17 2.3(3) . . . . ?
C12 C13 C18 C17 179.57(18) . . . . ?
O2 C11 C19 C20 -172.95(13) . . . . ?
C10 C11 C19 C20 2.7(3) . . . . ?
O2 C11 C19 C27 6.0(2) . . . . ?
C10 C11 C19 C27 -178.32(16) . . . . ?
C11 C19 C20 O4 -55.7(2) . . . . ?
C27 C19 C20 O4 125.27(18) . . . . ?
C11 C19 C20 C21 122.33(18) . . . . ?
C27 C19 C20 C21 -56.7(2) . . . . ?
O4 C20 C21 C22 -6.2(2) . . . . ?
C19 C20 C21 C22 175.75(15) . . . . ?
O4 C20 C21 C26 171.07(16) . . . . ?
C19 C20 C21 C26 -7.0(2) . . . . ?
C26 C21 C22 C23 1.3(3) . . . . ?
C20 C21 C22 C23 178.61(17) . . . . ?
C21 C22 C23 C24 -1.1(3) . . . . ?
C22 C23 C24 C25 0.3(3) . . . . ?
C23 C24 C25 C26 0.2(3) . . . . ?
C24 C25 C26 C21 0.0(3) . . . . ?
C22 C21 C26 C25 -0.8(2) . . . . ?
C20 C21 C26 C25 -177.98(16) . . . . ?

_refine_diff_density_max         0.317
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.046


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: ethyl acetate, hexane'
_chemical_compound_source        stable
