# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2009


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Junliang Zhang'
_publ_contact_author_email       JLZHANG@CHEM.ECNU.EDU.CN

_publ_section_title              
;
Tetrasubstituted Allenes by Pd0-Catalyzed
Three-Component Tandem Michael Addition / Cross-Coupling
Reaction
;
loop_
_publ_author_name
'Junliang Zhang'
'Yuanjing Xiao'

# Attachment '4aaa.cif'

data_z
_database_code_depnum_ccdc_archive 'CCDC 741112'
#TrackingRef '4aaa.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22 O2'
_chemical_formula_weight         354.43

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_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'
'-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                   19.5589(7)
_cell_length_b                   8.1704(3)
_cell_length_c                   24.0587(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3844.7(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.452
_exptl_crystal_size_mid          0.368
_exptl_crystal_size_min          0.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1504
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.780340
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41565
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3388
_reflns_number_gt                3052
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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     
'calc w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+1.8562P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3388
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.0973
_refine_ls_wR_factor_gt          0.0924
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.16466(6) 0.36263(14) -0.00992(5) 0.0467(3) Uani 1 1 d . . .
O2 O 0.01482(5) 0.59326(12) 0.07550(4) 0.0289(2) Uani 1 1 d . . .
C1 C 0.13139(7) 0.57238(17) 0.15836(6) 0.0298(3) Uani 1 1 d . . .
H1A H 0.0969 0.5003 0.1715 0.036 Uiso 1 1 calc R . .
C2 C 0.17806(8) 0.63834(19) 0.19530(6) 0.0359(3) Uani 1 1 d . . .
H2A H 0.1754 0.6118 0.2337 0.043 Uiso 1 1 calc R . .
C3 C 0.22872(7) 0.74299(19) 0.17648(7) 0.0389(4) Uani 1 1 d . . .
H3A H 0.2608 0.7881 0.2019 0.047 Uiso 1 1 calc R . .
C4 C 0.23242(7) 0.78141(19) 0.12079(7) 0.0388(4) Uani 1 1 d . . .
H4A H 0.2671 0.8533 0.1078 0.047 Uiso 1 1 calc R . .
C5 C 0.18571(7) 0.71536(17) 0.08373(6) 0.0315(3) Uani 1 1 d . . .
H5A H 0.1887 0.7419 0.0454 0.038 Uiso 1 1 calc R . .
C6 C 0.13478(6) 0.61107(16) 0.10212(6) 0.0257(3) Uani 1 1 d . . .
C7 C 0.08246(7) 0.54259(16) 0.06167(6) 0.0265(3) Uani 1 1 d . . .
H7A H 0.0936 0.5829 0.0235 0.032 Uiso 1 1 calc R . .
C8 C 0.08284(6) 0.35664(16) 0.06117(5) 0.0244(3) Uani 1 1 d . . .
C9 C 0.04495(6) 0.27227(16) 0.09601(5) 0.0249(3) Uani 1 1 d . . .
C10 C 0.00580(6) 0.20445(16) 0.13391(5) 0.0243(3) Uani 1 1 d . . .
C11 C 0.03650(7) 0.16090(16) 0.18892(5) 0.0246(3) Uani 1 1 d . . .
C12 C 0.10069(7) 0.08889(18) 0.19251(6) 0.0330(3) Uani 1 1 d . . .
H12A H 0.1248 0.0614 0.1595 0.040 Uiso 1 1 calc R . .
C13 C 0.12976(8) 0.0569(2) 0.24385(7) 0.0396(4) Uani 1 1 d . . .
H13A H 0.1739 0.0085 0.2458 0.047 Uiso 1 1 calc R . .
C14 C 0.09523(8) 0.09459(19) 0.29198(6) 0.0389(4) Uani 1 1 d . . .
H14A H 0.1153 0.0727 0.3271 0.047 Uiso 1 1 calc R . .
C15 C 0.03097(8) 0.1647(2) 0.28876(6) 0.0380(4) Uani 1 1 d . . .
H15A H 0.0068 0.1902 0.3219 0.046 Uiso 1 1 calc R . .
C16 C 0.00172(7) 0.19782(18) 0.23774(6) 0.0313(3) Uani 1 1 d . . .
H16A H -0.0424 0.2461 0.2360 0.038 Uiso 1 1 calc R . .
C17 C -0.06869(7) 0.17833(16) 0.12424(5) 0.0246(3) Uani 1 1 d . . .
C18 C -0.10293(7) 0.04708(17) 0.14871(6) 0.0293(3) Uani 1 1 d . . .
H18A H -0.0785 -0.0275 0.1716 0.035 Uiso 1 1 calc R . .
C19 C -0.17240(7) 0.02473(19) 0.13984(6) 0.0350(3) Uani 1 1 d . . .
H19A H -0.1952 -0.0657 0.1564 0.042 Uiso 1 1 calc R . .
C20 C -0.20862(7) 0.1336(2) 0.10702(6) 0.0358(3) Uani 1 1 d . . .
H20A H -0.2562 0.1185 0.1011 0.043 Uiso 1 1 calc R . .
C21 C -0.17501(7) 0.26452(19) 0.08286(6) 0.0332(3) Uani 1 1 d . . .
H21A H -0.1997 0.3394 0.0603 0.040 Uiso 1 1 calc R . .
C22 C -0.10569(7) 0.28712(17) 0.09137(5) 0.0285(3) Uani 1 1 d . . .
H22A H -0.0831 0.3776 0.0747 0.034 Uiso 1 1 calc R . .
C23 C 0.13058(7) 0.27825(17) 0.02088(6) 0.0288(3) Uani 1 1 d . . .
C24 C 0.13681(8) 0.09599(18) 0.02047(6) 0.0364(3) Uani 1 1 d . . .
H24A H 0.1699 0.0629 -0.0079 0.055 Uiso 1 1 calc R . .
H24B H 0.0922 0.0473 0.0121 0.055 Uiso 1 1 calc R . .
H24C H 0.1524 0.0582 0.0570 0.055 Uiso 1 1 calc R . .
C25 C 0.00538(8) 0.76376(18) 0.06731(6) 0.0338(3) Uani 1 1 d . . .
H25A H -0.0416 0.7937 0.0772 0.051 Uiso 1 1 calc R . .
H25B H 0.0138 0.7909 0.0282 0.051 Uiso 1 1 calc R . .
H25C H 0.0374 0.8245 0.0909 0.051 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O1 0.0527(7) 0.0390(6) 0.0485(7) 0.0055(5) 0.0279(6) -0.0004(5)
O2 0.0251(5) 0.0284(5) 0.0333(5) 0.0006(4) -0.0001(4) 0.0020(4)
C1 0.0275(7) 0.0299(7) 0.0320(7) 0.0003(6) 0.0024(6) 0.0005(6)
C2 0.0361(8) 0.0385(8) 0.0331(8) -0.0026(7) -0.0037(6) 0.0047(6)
C3 0.0293(7) 0.0371(8) 0.0502(9) -0.0100(7) -0.0084(7) 0.0020(6)
C4 0.0263(7) 0.0338(8) 0.0563(10) -0.0026(7) 0.0033(7) -0.0054(6)
C5 0.0300(7) 0.0278(7) 0.0368(8) 0.0020(6) 0.0058(6) 0.0005(6)
C6 0.0233(6) 0.0228(6) 0.0308(7) -0.0006(6) 0.0022(5) 0.0040(5)
C7 0.0265(7) 0.0276(7) 0.0254(7) 0.0022(6) 0.0035(5) 0.0005(5)
C8 0.0256(6) 0.0263(7) 0.0214(6) 0.0014(5) -0.0010(5) -0.0022(5)
C9 0.0247(6) 0.0265(7) 0.0236(6) -0.0018(5) -0.0020(5) 0.0018(5)
C10 0.0262(6) 0.0228(6) 0.0238(6) -0.0009(5) 0.0031(5) 0.0007(5)
C11 0.0263(6) 0.0226(6) 0.0250(7) 0.0013(5) 0.0018(5) -0.0044(5)
C12 0.0306(7) 0.0378(8) 0.0305(7) 0.0012(6) 0.0029(6) 0.0028(6)
C13 0.0351(8) 0.0423(9) 0.0414(9) 0.0056(7) -0.0069(6) 0.0025(7)
C14 0.0461(9) 0.0409(8) 0.0297(8) 0.0072(7) -0.0090(7) -0.0120(7)
C15 0.0434(8) 0.0457(9) 0.0248(7) -0.0029(7) 0.0033(6) -0.0119(7)
C16 0.0295(7) 0.0351(8) 0.0293(8) -0.0022(6) 0.0043(6) -0.0034(6)
C17 0.0268(7) 0.0257(7) 0.0212(6) -0.0037(5) 0.0030(5) 0.0003(5)
C18 0.0311(7) 0.0282(7) 0.0286(7) 0.0010(6) 0.0002(6) -0.0008(6)
C19 0.0327(7) 0.0369(8) 0.0354(8) -0.0017(6) 0.0035(6) -0.0090(6)
C20 0.0266(7) 0.0451(9) 0.0358(8) -0.0085(7) -0.0016(6) -0.0008(6)
C21 0.0330(7) 0.0365(8) 0.0300(7) -0.0033(6) -0.0039(6) 0.0071(6)
C22 0.0333(7) 0.0287(7) 0.0234(6) -0.0004(6) 0.0016(5) 0.0016(6)
C23 0.0288(7) 0.0317(7) 0.0258(7) 0.0014(6) 0.0025(6) -0.0005(6)
C24 0.0420(8) 0.0327(8) 0.0345(8) -0.0018(6) 0.0067(6) 0.0042(6)
C25 0.0359(8) 0.0300(7) 0.0356(8) 0.0003(6) -0.0053(6) 0.0067(6)

_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 C23 1.2119(17) . ?
O2 C25 1.4190(17) . ?
O2 C7 1.4257(15) . ?
C1 C2 1.383(2) . ?
C1 C6 1.3912(19) . ?
C1 H1A 0.9500 . ?
C2 C3 1.385(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.378(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.386(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.3834(19) . ?
C5 H5A 0.9500 . ?
C6 C7 1.5189(19) . ?
C7 C8 1.5194(19) . ?
C7 H7A 1.0000 . ?
C8 C9 1.3142(19) . ?
C8 C23 1.4906(18) . ?
C9 C10 1.3132(18) . ?
C10 C17 1.4908(18) . ?
C10 C11 1.4964(18) . ?
C11 C12 1.3892(19) . ?
C11 C16 1.3904(19) . ?
C12 C13 1.385(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.376(2) . ?
C13 H13A 0.9500 . ?
C14 C15 1.383(2) . ?
C14 H14A 0.9500 . ?
C15 C16 1.381(2) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 C22 1.3925(19) . ?
C17 C18 1.3946(19) . ?
C18 C19 1.387(2) . ?
C18 H18A 0.9500 . ?
C19 C20 1.384(2) . ?
C19 H19A 0.9500 . ?
C20 C21 1.384(2) . ?
C20 H20A 0.9500 . ?
C21 C22 1.384(2) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 C24 1.494(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
C25 O2 C7 111.92(10) . . ?
C2 C1 C6 120.33(13) . . ?
C2 C1 H1A 119.8 . . ?
C6 C1 H1A 119.8 . . ?
C1 C2 C3 120.17(14) . . ?
C1 C2 H2A 119.9 . . ?
C3 C2 H2A 119.9 . . ?
C4 C3 C2 119.75(14) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 120.14(14) . . ?
C3 C4 H4A 119.9 . . ?
C5 C4 H4A 119.9 . . ?
C6 C5 C4 120.58(14) . . ?
C6 C5 H5A 119.7 . . ?
C4 C5 H5A 119.7 . . ?
C5 C6 C1 119.03(13) . . ?
C5 C6 C7 120.47(12) . . ?
C1 C6 C7 120.49(12) . . ?
O2 C7 C6 111.63(10) . . ?
O2 C7 C8 107.26(10) . . ?
C6 C7 C8 111.72(11) . . ?
O2 C7 H7A 108.7 . . ?
C6 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
C9 C8 C23 122.87(12) . . ?
C9 C8 C7 121.12(12) . . ?
C23 C8 C7 115.96(11) . . ?
C10 C9 C8 173.20(14) . . ?
C9 C10 C17 121.46(12) . . ?
C9 C10 C11 118.72(11) . . ?
C17 C10 C11 119.74(11) . . ?
C12 C11 C16 118.79(13) . . ?
C12 C11 C10 121.21(12) . . ?
C16 C11 C10 119.96(12) . . ?
C13 C12 C11 120.43(14) . . ?
C13 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
C14 C13 C12 120.47(14) . . ?
C14 C13 H13A 119.8 . . ?
C12 C13 H13A 119.8 . . ?
C13 C14 C15 119.44(14) . . ?
C13 C14 H14A 120.3 . . ?
C15 C14 H14A 120.3 . . ?
C16 C15 C14 120.50(14) . . ?
C16 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
C15 C16 C11 120.37(14) . . ?
C15 C16 H16A 119.8 . . ?
C11 C16 H16A 119.8 . . ?
C22 C17 C18 118.76(12) . . ?
C22 C17 C10 120.33(12) . . ?
C18 C17 C10 120.89(12) . . ?
C19 C18 C17 120.42(13) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C20 C19 C18 120.29(14) . . ?
C20 C19 H19A 119.9 . . ?
C18 C19 H19A 119.9 . . ?
C21 C20 C19 119.55(13) . . ?
C21 C20 H20A 120.2 . . ?
C19 C20 H20A 120.2 . . ?
C20 C21 C22 120.43(14) . . ?
C20 C21 H21A 119.8 . . ?
C22 C21 H21A 119.8 . . ?
C21 C22 C17 120.54(13) . . ?
C21 C22 H22A 119.7 . . ?
C17 C22 H22A 119.7 . . ?
O1 C23 C8 119.86(13) . . ?
O1 C23 C24 121.21(13) . . ?
C8 C23 C24 118.92(12) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O2 C25 H25A 109.5 . . ?
O2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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
C6 C1 C2 C3 -0.3(2) . . . . ?
C1 C2 C3 C4 0.1(2) . . . . ?
C2 C3 C4 C5 -0.1(2) . . . . ?
C3 C4 C5 C6 0.3(2) . . . . ?
C4 C5 C6 C1 -0.5(2) . . . . ?
C4 C5 C6 C7 178.30(13) . . . . ?
C2 C1 C6 C5 0.4(2) . . . . ?
C2 C1 C6 C7 -178.32(12) . . . . ?
C25 O2 C7 C6 68.03(14) . . . . ?
C25 O2 C7 C8 -169.27(11) . . . . ?
C5 C6 C7 O2 -118.07(13) . . . . ?
C1 C6 C7 O2 60.67(16) . . . . ?
C5 C6 C7 C8 121.83(13) . . . . ?
C1 C6 C7 C8 -59.43(16) . . . . ?
O2 C7 C8 C9 -34.57(17) . . . . ?
C6 C7 C8 C9 88.07(15) . . . . ?
O2 C7 C8 C23 147.99(11) . . . . ?
C6 C7 C8 C23 -89.37(14) . . . . ?
C23 C8 C9 C10 166.1(11) . . . . ?
C7 C8 C9 C10 -11.1(12) . . . . ?
C8 C9 C10 C17 94.8(11) . . . . ?
C8 C9 C10 C11 -82.0(11) . . . . ?
C9 C10 C11 C12 -42.37(19) . . . . ?
C17 C10 C11 C12 140.77(13) . . . . ?
C9 C10 C11 C16 135.31(14) . . . . ?
C17 C10 C11 C16 -41.54(18) . . . . ?
C16 C11 C12 C13 -0.9(2) . . . . ?
C10 C11 C12 C13 176.77(13) . . . . ?
C11 C12 C13 C14 0.6(2) . . . . ?
C12 C13 C14 C15 0.1(2) . . . . ?
C13 C14 C15 C16 -0.5(2) . . . . ?
C14 C15 C16 C11 0.1(2) . . . . ?
C12 C11 C16 C15 0.6(2) . . . . ?
C10 C11 C16 C15 -177.13(13) . . . . ?
C9 C10 C17 C22 -32.01(19) . . . . ?
C11 C10 C17 C22 144.76(13) . . . . ?
C9 C10 C17 C18 149.32(13) . . . . ?
C11 C10 C17 C18 -33.91(18) . . . . ?
C22 C17 C18 C19 0.7(2) . . . . ?
C10 C17 C18 C19 179.43(13) . . . . ?
C17 C18 C19 C20 -0.7(2) . . . . ?
C18 C19 C20 C21 0.3(2) . . . . ?
C19 C20 C21 C22 -0.1(2) . . . . ?
C20 C21 C22 C17 0.2(2) . . . . ?
C18 C17 C22 C21 -0.5(2) . . . . ?
C10 C17 C22 C21 -179.18(12) . . . . ?
C9 C8 C23 O1 -179.37(14) . . . . ?
C7 C8 C23 O1 -1.98(19) . . . . ?
C9 C8 C23 C24 -1.1(2) . . . . ?
C7 C8 C23 C24 176.32(12) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.040