# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_d368n

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H58 O4'
_chemical_formula_weight         891.10

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.291(2)
_cell_length_b                   17.310(3)
_cell_length_c                   11.563(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.536(5)
_cell_angle_gamma                90.00
_cell_volume                     2448.7(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    903
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      22.37

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ORANGE-
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      'Not Measured'
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             948
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6393
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14069
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4314
_reflns_number_gt                3159
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0837P)²+2.8997P] where P=(Fo²+2Fc²)/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         4314
_refine_ls_number_parameters     351
_refine_ls_number_restraints     127
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0775
_refine_ls_wR_factor_ref         0.1964
_refine_ls_wR_factor_gt          0.1815
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_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 0.5567(2) 0.19002(11) 0.94448(18) 0.0348(6) Uani 1 1 d . . .
C1 C 0.3710(2) 0.59633(16) 0.8928(3) 0.0261(7) Uani 1 1 d . . .
H1 H 0.3311 0.6408 0.8656 0.031 Uiso 1 1 calc R . .
C2 C 0.3419(2) 0.52674(16) 0.8469(3) 0.0257(7) Uani 1 1 d . . .
H2 H 0.2824 0.5238 0.7882 0.031 Uiso 1 1 calc R . .
C3 C 0.3981(2) 0.45737(16) 0.8840(2) 0.0232(7) Uani 1 1 d . A .
C4 C 0.4845(2) 0.46290(16) 0.9753(2) 0.0222(6) Uani 1 1 d . . .
C5 C 0.5404(2) 0.39491(16) 1.0193(2) 0.0236(7) Uani 1 1 d . . .
C6 C 0.5061(2) 0.32209(16) 0.9738(3) 0.0248(7) Uani 1 1 d . . .
C7 C 0.4249(3) 0.31858(17) 0.8819(3) 0.0276(7) Uani 1 1 d . A .
H7 H 0.4060 0.2696 0.8486 0.033 Uiso 1 1 calc R . .
C8 C 0.3699(2) 0.38369(16) 0.8363(2) 0.0241(7) Uani 1 1 d . . .
C9 C 0.5502(2) 0.24932(16) 1.0242(3) 0.0261(7) Uani 1 1 d . . .
C10 C 0.5826(2) 0.22538(16) 1.1331(3) 0.0247(7) Uani 1 1 d . . .
H10 H 0.5838 0.2554 1.2020 0.030 Uiso 1 1 calc R . .
C11 C 0.6152(2) 0.14574(16) 1.1253(3) 0.0244(7) Uani 1 1 d . . .
C12 C 0.5975(3) 0.12732(17) 1.0085(3) 0.0329(8) Uani 1 1 d . . .
C13 C 0.6211(3) 0.05542(19) 0.9646(3) 0.0434(9) Uani 1 1 d . . .
H13 H 0.6069 0.0436 0.8843 0.052 Uiso 1 1 calc R . .
C14 C 0.6662(3) 0.00202(18) 1.0433(3) 0.0388(9) Uani 1 1 d . . .
H14 H 0.6840 -0.0477 1.0158 0.047 Uiso 1 1 calc R . .
C15 C 0.6871(3) 0.01795(17) 1.1635(3) 0.0291(7) Uani 1 1 d . A .
C16 C 0.6601(2) 0.09023(16) 1.2034(3) 0.0258(7) Uani 1 1 d . . .
H16 H 0.6722 0.1020 1.2838 0.031 Uiso 1 1 calc R . .
C17 C 0.7356(3) -0.04530(18) 1.2456(3) 0.0418(9) Uani 1 1 d D . .
C18 C 0.7816(9) -0.0139(5) 1.3625(6) 0.034(2) Uani 0.609(4) 1 d PDU A 1
H18A H 0.7231 0.0111 1.4007 0.050 Uiso 0.609(4) 1 calc PR A 1
H18B H 0.8390 0.0239 1.3513 0.050 Uiso 0.609(4) 1 calc PR A 1
H18C H 0.8125 -0.0565 1.4111 0.050 Uiso 0.609(4) 1 calc PR A 1
C19 C 0.6335(4) -0.0996(3) 1.2655(5) 0.0303(13) Uani 0.609(4) 1 d PDU A 1
H19A H 0.6074 -0.1248 1.1922 0.045 Uiso 0.609(4) 1 calc PR A 1
H19B H 0.5747 -0.0682 1.2926 0.045 Uiso 0.609(4) 1 calc PR A 1
H19C H 0.6560 -0.1389 1.3239 0.045 Uiso 0.609(4) 1 calc PR A 1
C20 C 0.8167(5) -0.0972(4) 1.1971(5) 0.0454(16) Uani 0.609(4) 1 d PDU A 1
H20A H 0.8411 -0.1364 1.2550 0.068 Uiso 0.609(4) 1 calc PR A 1
H20B H 0.8795 -0.0667 1.1776 0.068 Uiso 0.609(4) 1 calc PR A 1
H20C H 0.7826 -0.1225 1.1270 0.068 Uiso 0.609(4) 1 calc PR A 1
O2 O 0.1884(5) 0.4183(3) 0.7370(5) 0.0431(15) Uani 0.609(4) 1 d PDU A 1
C21 C 0.2788(11) 0.3700(7) 0.7461(12) 0.018(2) Uani 0.609(4) 1 d PDU A 1
C22 C 0.2688(5) 0.3146(4) 0.6651(6) 0.0289(15) Uani 0.609(4) 1 d PU A 1
H22 H 0.3222 0.2769 0.6512 0.035 Uiso 0.609(4) 1 calc PR A 1
C23 C 0.1610(2) 0.32285(19) 0.6022(3) 0.0240(12) Uani 0.609(4) 1 d PGU A 1
C24 C 0.1201(3) 0.38899(19) 0.6507(3) 0.0349(14) Uani 0.609(4) 1 d PGDU A 1
C25 C 0.0149(3) 0.41418(18) 0.6147(4) 0.0567(19) Uani 0.609(4) 1 d PGU A 1
H25 H -0.0131 0.4594 0.6479 0.068 Uiso 0.609(4) 1 calc PR A 1
C26 C -0.0495(2) 0.3732(2) 0.5303(4) 0.0481(17) Uani 0.609(4) 1 d PGU A 1
H26 H -0.1214 0.3904 0.5058 0.058 Uiso 0.609(4) 1 calc PR A 1
C27 C -0.0086(2) 0.30707(18) 0.4819(3) 0.0247(12) Uani 0.609(4) 1 d PGU A 1
C28 C 0.0966(2) 0.28189(16) 0.5178(3) 0.0299(13) Uani 0.609(4) 1 d PGU A 1
H28 H 0.1246 0.2367 0.4846 0.036 Uiso 0.609(4) 1 calc PR A 1
C29 C -0.0858(5) 0.2604(3) 0.3947(5) 0.0322(15) Uani 0.609(4) 1 d PDU A 1
C32 C -0.1331(7) 0.3146(5) 0.2982(7) 0.076(3) Uani 0.609(4) 1 d PDU A 1
H32A H -0.0817 0.3189 0.2387 0.113 Uiso 0.609(4) 1 calc PR A 1
H32B H -0.1451 0.3658 0.3309 0.113 Uiso 0.609(4) 1 calc PR A 1
H32C H -0.2028 0.2938 0.2630 0.113 Uiso 0.609(4) 1 calc PR A 1
C31 C -0.0277(6) 0.1963(4) 0.3367(6) 0.064(2) Uani 0.609(4) 1 d PDU A 1
H31A H 0.0014 0.1589 0.3955 0.095 Uiso 0.609(4) 1 calc PR A 1
H31B H 0.0325 0.2180 0.2975 0.095 Uiso 0.609(4) 1 calc PR A 1
H31C H -0.0794 0.1703 0.2796 0.095 Uiso 0.609(4) 1 calc PR A 1
C30 C -0.1715(7) 0.2218(7) 0.4568(9) 0.047(2) Uani 0.609(4) 1 d PDU A 1
H30A H -0.2265 0.1989 0.4000 0.071 Uiso 0.609(4) 1 calc PR A 1
H30B H -0.2063 0.2599 0.5039 0.071 Uiso 0.609(4) 1 calc PR A 1
H30C H -0.1379 0.1811 0.5073 0.071 Uiso 0.609(4) 1 calc PR A 1
C18Y C 0.7583(14) -0.0177(11) 1.3718(10) 0.047(5) Uiso 0.391(4) 1 d PD A 2
H18D H 0.6891 -0.0046 1.4026 0.071 Uiso 0.391(4) 1 calc PR A 2
H18E H 0.8054 0.0280 1.3744 0.071 Uiso 0.391(4) 1 calc PR A 2
H18F H 0.7948 -0.0589 1.4189 0.071 Uiso 0.391(4) 1 calc PR A 2
C19Y C 0.6840(13) -0.1214(7) 1.2361(14) 0.097(5) Uiso 0.391(4) 1 d PD A 2
H19D H 0.6840 -0.1404 1.1563 0.146 Uiso 0.391(4) 1 calc PR A 2
H19E H 0.6086 -0.1175 1.2563 0.146 Uiso 0.391(4) 1 calc PR A 2
H19F H 0.7249 -0.1574 1.2894 0.146 Uiso 0.391(4) 1 calc PR A 2
C20Y C 0.8559(8) -0.0534(9) 1.2030(12) 0.080(4) Uiso 0.391(4) 1 d PD A 2
H20D H 0.8957 -0.0947 1.2469 0.119 Uiso 0.391(4) 1 calc PR A 2
H20E H 0.8955 -0.0046 1.2164 0.119 Uiso 0.391(4) 1 calc PR A 2
H20F H 0.8498 -0.0658 1.1200 0.119 Uiso 0.391(4) 1 calc PR A 2
O32 O 0.3058(6) 0.3070(5) 0.6692(7) 0.0260(9) Uiso 0.391(4) 1 d PD A 2
C41 C 0.290(2) 0.3711(14) 0.735(2) 0.0260(9) Uiso 0.391(4) 1 d PD A 2
C42 C 0.1876(13) 0.4017(8) 0.7111(11) 0.0260(9) Uiso 0.391(4) 1 d P A 2
H42 H 0.1565 0.4446 0.7473 0.031 Uiso 0.391(4) 1 calc PR A 2
C43 C 0.1360(4) 0.3524(3) 0.6149(4) 0.0260(9) Uiso 0.391(4) 1 d PG A 2
C44 C 0.2159(3) 0.2981(3) 0.5967(4) 0.0260(9) Uiso 0.391(4) 1 d PGD A 2
C45 C 0.1953(3) 0.2415(3) 0.5122(4) 0.0260(9) Uiso 0.391(4) 1 d PG A 2
H45 H 0.2499 0.2044 0.4997 0.031 Uiso 0.391(4) 1 calc PR A 2
C46 C 0.0948(4) 0.2391(3) 0.4459(4) 0.0260(9) Uiso 0.391(4) 1 d PG A 2
H46 H 0.0807 0.2004 0.3882 0.031 Uiso 0.391(4) 1 calc PR A 2
C47 C 0.0149(3) 0.2934(3) 0.4641(5) 0.0260(9) Uiso 0.391(4) 1 d PG A 2
C48 C 0.0355(4) 0.3500(3) 0.5486(5) 0.0260(9) Uiso 0.391(4) 1 d PG A 2
H48 H -0.0191 0.3871 0.5611 0.031 Uiso 0.391(4) 1 calc PR A 2
C49 C -0.0974(9) 0.2890(6) 0.3937(9) 0.0260(9) Uiso 0.391(4) 1 d PD A 2
C52 C -0.0907(15) 0.2442(11) 0.2809(14) 0.109(5) Uiso 0.391(4) 1 d PD A 2
H52A H -0.1564 0.2542 0.2281 0.164 Uiso 0.391(4) 1 calc PR A 2
H52B H -0.0852 0.1888 0.2979 0.164 Uiso 0.391(4) 1 calc PR A 2
H52C H -0.0260 0.2610 0.2442 0.164 Uiso 0.391(4) 1 calc PR A 2
C51 C -0.1525(15) 0.3634(9) 0.3676(17) 0.111(6) Uiso 0.391(4) 1 d PD A 2
H51A H -0.1712 0.3872 0.4399 0.167 Uiso 0.391(4) 1 calc PR A 2
H51B H -0.2193 0.3548 0.3158 0.167 Uiso 0.391(4) 1 calc PR A 2
H51C H -0.1035 0.3978 0.3296 0.167 Uiso 0.391(4) 1 calc PR A 2
C50 C -0.1793(17) 0.2454(11) 0.4606(19) 0.071(7) Uiso 0.391(4) 1 d PD A 2
H50A H -0.2067 0.2798 0.5185 0.107 Uiso 0.391(4) 1 calc PR A 2
H50B H -0.1432 0.2007 0.4997 0.107 Uiso 0.391(4) 1 calc PR A 2
H50C H -0.2404 0.2277 0.4064 0.107 Uiso 0.391(4) 1 calc PR 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
O1 C12 1.380(4) . ?
O1 C9 1.387(3) . ?
C1 C2 1.350(4) . ?
C1 C5 1.424(4) 3_667 ?
C1 H1 0.9500 . ?
C2 C3 1.431(4) . ?
C2 H2 0.9500 . ?
C3 C8 1.419(4) . ?
C3 C4 1.427(4) . ?
C4 C5 1.432(4) . ?
C4 C4 1.442(5) 3_667 ?
C5 C6 1.415(4) . ?
C5 C1 1.424(4) 3_667 ?
C6 C7 1.387(4) . ?
C6 C9 1.470(4) . ?
C7 C8 1.391(4) . ?
C7 H7 0.9500 . ?
C8 C41 1.47(3) . ?
C8 C21 1.474(16) . ?
C9 C10 1.348(4) . ?
C10 C11 1.441(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(4) . ?
C11 C16 1.395(4) . ?
C12 C13 1.385(4) . ?
C13 C14 1.376(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.416(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(4) . ?
C15 C17 1.532(4) . ?
C16 H16 0.9500 . ?
C17 C19Y 1.461(9) . ?
C17 C20 1.490(6) . ?
C17 C18 1.514(6) . ?
C17 C18Y 1.534(9) . ?
C17 C19 1.601(5) . ?
C17 C20Y 1.609(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
O2 C24 1.341(5) . ?
O2 C21 1.386(13) . ?
C21 C22 1.338(13) . ?
C22 C23 1.456(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 C28 1.3900 . ?
C27 C29 1.544(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.489(9) . ?
C29 C31 1.511(8) . ?
C29 C32 1.530(8) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C18Y H18D 0.9800 . ?
C18Y H18E 0.9800 . ?
C18Y H18F 0.9800 . ?
C19Y H19D 0.9800 . ?
C19Y H19E 0.9800 . ?
C19Y H19F 0.9800 . ?
C20Y H20D 0.9800 . ?
C20Y H20E 0.9800 . ?
C20Y H20F 0.9800 . ?
O32 C44 1.330(8) . ?
O32 C41 1.373(19) . ?
C41 C42 1.36(3) . ?
C42 C43 1.495(14) . ?
C42 H42 0.9500 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C45 H45 0.9500 . ?
C46 C47 1.3900 . ?
C46 H46 0.9500 . ?
C47 C48 1.3900 . ?
C47 C49 1.535(11) . ?
C48 H48 0.9500 . ?
C49 C51 1.472(14) . ?
C49 C50 1.526(16) . ?
C49 C52 1.527(15) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 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
C12 O1 C9 105.5(2) . . ?
C2 C1 C5 122.0(3) . 3_667 ?
C2 C1 H1 119.0 . . ?
C5 C1 H1 119.0 3_667 . ?
C1 C2 C3 121.9(3) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 H2 119.0 . . ?
C8 C3 C4 119.0(3) . . ?
C8 C3 C2 123.0(3) . . ?
C4 C3 C2 118.0(3) . . ?
C3 C4 C5 120.4(2) . . ?
C3 C4 C4 120.2(3) . 3_667 ?
C5 C4 C4 119.5(3) . 3_667 ?
C6 C5 C1 122.7(3) . 3_667 ?
C6 C5 C4 119.0(3) . . ?
C1 C5 C4 118.3(3) 3_667 . ?
C7 C6 C5 119.4(3) . . ?
C7 C6 C9 118.5(3) . . ?
C5 C6 C9 122.0(2) . . ?
C6 C7 C8 122.8(3) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
C7 C8 C3 119.3(3) . . ?
C7 C8 C41 116.4(10) . . ?
C3 C8 C41 124.1(10) . . ?
C7 C8 C21 116.5(5) . . ?
C3 C8 C21 124.0(5) . . ?
C41 C8 C21 7.5(16) . . ?
C10 C9 O1 111.2(2) . . ?
C10 C9 C6 134.3(3) . . ?
O1 C9 C6 114.4(2) . . ?
C9 C10 C11 107.1(3) . . ?
C9 C10 H10 126.4 . . ?
C11 C10 H10 126.4 . . ?
C12 C11 C16 119.2(3) . . ?
C12 C11 C10 105.3(2) . . ?
C16 C11 C10 135.5(3) . . ?
O1 C12 C11 110.9(3) . . ?
O1 C12 C13 126.0(3) . . ?
C11 C12 C13 123.1(3) . . ?
C14 C13 C12 116.5(3) . . ?
C14 C13 H13 121.7 . . ?
C12 C13 H13 121.7 . . ?
C13 C14 C15 122.8(3) . . ?
C13 C14 H14 118.6 . . ?
C15 C14 H14 118.6 . . ?
C16 C15 C14 118.4(3) . . ?
C16 C15 C17 122.0(3) . . ?
C14 C15 C17 119.5(3) . . ?
C15 C16 C11 120.0(3) . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C19Y C17 C20 74.3(7) . . ?
C19Y C17 C18 120.8(8) . . ?
C20 C17 C18 110.2(5) . . ?
C19Y C17 C15 117.2(7) . . ?
C20 C17 C15 115.6(3) . . ?
C18 C17 C15 112.7(4) . . ?
C19Y C17 C18Y 113.0(8) . . ?
C20 C17 C18Y 118.6(8) . . ?
C18 C17 C18Y 12.1(9) . . ?
C15 C17 C18Y 113.0(8) . . ?
C19Y C17 C19 30.9(6) . . ?
C20 C17 C19 105.2(4) . . ?
C18 C17 C19 108.2(5) . . ?
C15 C17 C19 104.2(3) . . ?
C18Y C17 C19 96.9(7) . . ?
C19Y C17 C20Y 107.6(7) . . ?
C20 C17 C20Y 33.4(5) . . ?
C18 C17 C20Y 91.7(7) . . ?
C15 C17 C20Y 100.7(6) . . ?
C18Y C17 C20Y 103.3(7) . . ?
C19 C17 C20Y 138.5(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
C24 O2 C21 105.6(6) . . ?
C22 C21 O2 111.1(11) . . ?
C22 C21 C8 128.5(10) . . ?
O2 C21 C8 120.4(8) . . ?
C21 C22 C23 107.3(7) . . ?
C21 C22 H22 126.3 . . ?
C23 C22 H22 126.3 . . ?
C24 C23 C28 120.0 . . ?
C24 C23 C22 103.0(3) . . ?
C28 C23 C22 136.9(3) . . ?
O2 C24 C23 112.8(3) . . ?
O2 C24 C25 127.0(3) . . ?
C23 C24 C25 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 C29 121.8(3) . . ?
C26 C27 C29 118.1(3) . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?
C23 C28 H28 120.0 . . ?
C30 C29 C31 105.7(7) . . ?
C30 C29 C32 113.0(7) . . ?
C31 C29 C32 106.8(6) . . ?
C30 C29 C27 109.8(5) . . ?
C31 C29 C27 112.8(5) . . ?
C32 C29 C27 108.8(5) . . ?
C17 C18Y H18D 109.5 . . ?
C17 C18Y H18E 109.5 . . ?
H18D C18Y H18E 109.5 . . ?
C17 C18Y H18F 109.5 . . ?
H18D C18Y H18F 109.5 . . ?
H18E C18Y H18F 109.5 . . ?
C17 C19Y H19D 109.5 . . ?
C17 C19Y H19E 109.5 . . ?
H19D C19Y H19E 109.5 . . ?
C17 C19Y H19F 109.5 . . ?
H19D C19Y H19F 109.5 . . ?
H19E C19Y H19F 109.5 . . ?
C17 C20Y H20D 109.5 . . ?
C17 C20Y H20E 109.5 . . ?
H20D C20Y H20E 109.5 . . ?
C17 C20Y H20F 109.5 . . ?
H20D C20Y H20F 109.5 . . ?
H20E C20Y H20F 109.5 . . ?
C44 O32 C41 106.7(13) . . ?
C42 C41 O32 112(2) . . ?
C42 C41 C8 129.6(16) . . ?
O32 C41 C8 116.0(18) . . ?
C41 C42 C43 104.2(13) . . ?
C41 C42 H42 127.9 . . ?
C43 C42 H42 127.9 . . ?
C44 C43 C48 120.0 . . ?
C44 C43 C42 104.1(7) . . ?
C48 C43 C42 135.9(6) . . ?
O32 C44 C43 112.5(5) . . ?
O32 C44 C45 127.5(5) . . ?
C43 C44 C45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 C49 119.9(5) . . ?
C48 C47 C49 120.0(5) . . ?
C47 C48 C43 120.0 . . ?
C47 C48 H48 120.0 . . ?
C43 C48 H48 120.0 . . ?
C51 C49 C50 103.0(13) . . ?
C51 C49 C52 109.3(12) . . ?
C50 C49 C52 105.9(13) . . ?
C51 C49 C47 116.0(10) . . ?
C50 C49 C47 111.0(11) . . ?
C52 C49 C47 110.9(10) . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.055
_database_code_depnum_ccdc_archive 'CCDC 1014829'
