# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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.
#
data_hyp131118

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H27 N O'
_chemical_formula_weight         393.51
_chemical_absolute_configuration ad

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'
N N 0.0311 0.0180 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'

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

_cell_length_a                   10.19460(10)
_cell_length_b                   10.63680(10)
_cell_length_c                   19.86740(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2154.38(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    22446
_cell_measurement_theta_min      4.1528
_cell_measurement_theta_max      71.9412

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.39
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             840
_exptl_absorpt_coefficient_mu    0.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7870
_exptl_absorpt_correction_T_max  0.8114
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'Gemini S Ultra, Agilent Technologies'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 15.9149
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30063
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0085
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.45
_diffrn_reflns_theta_max         71.06
_reflns_number_total             3901
_reflns_number_gt                3878
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro (Agilent Technologies)'
_computing_cell_refinement       'CrysAlisPro (Agilent Technologies)'
_computing_data_reduction        'CrysAlisPro (Agilent Technologies)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 (L. J. Farrugia, 2001)'
_computing_publication_material  SHELXL-97

_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)+(0.0472P)²+0.1711P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(2)
_refine_ls_number_reflns         3901
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0783
_refine_ls_wR_factor_gt          0.0781
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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 -0.03607(9) 0.88007(10) 0.56374(4) 0.0567(2) Uani 1 1 d . . .
N1 N 0.18169(10) 0.83575(10) 0.56902(5) 0.0456(2) Uani 1 1 d . . .
C2 C 0.27655(11) 0.77904(10) 0.67868(6) 0.0399(2) Uani 1 1 d . . .
C23 C 0.27758(11) 0.67237(10) 0.73126(6) 0.0400(2) Uani 1 1 d . . .
C18 C 0.11250(12) 0.94533(13) 0.71793(7) 0.0508(3) Uani 1 1 d . . .
H18 H 0.0465 0.9024 0.6952 0.061 Uiso 1 1 calc R . .
C17 C 0.24136(11) 0.90329(10) 0.71313(6) 0.0410(2) Uani 1 1 d . . .
C24 C 0.25648(14) 0.69424(13) 0.79932(6) 0.0511(3) Uani 1 1 d . . .
H24 H 0.2444 0.7763 0.8143 0.061 Uiso 1 1 calc R . .
C9 C 0.06382(14) 1.06687(13) 0.45100(6) 0.0530(3) Uani 1 1 d . . .
H9 H 0.1206 1.1095 0.4223 0.064 Uiso 1 1 calc R . .
C3 C 0.41168(12) 0.78638(12) 0.64280(6) 0.0485(3) Uani 1 1 d . . .
H3B H 0.4786 0.8078 0.6756 0.058 Uiso 1 1 calc R . .
H3A H 0.4331 0.7045 0.6243 0.058 Uiso 1 1 calc R . .
C4 C 0.41305(13) 0.88383(15) 0.58612(7) 0.0556(3) Uani 1 1 d . . .
H4B H 0.4004 0.9670 0.6051 0.067 Uiso 1 1 calc R . .
H4A H 0.4979 0.8824 0.5640 0.067 Uiso 1 1 calc R . .
C6 C 0.27416(14) 0.96757(17) 0.48744(7) 0.0633(4) Uani 1 1 d . . .
H6B H 0.3173 1.0440 0.5023 0.076 Uiso 1 1 calc R . .
H6A H 0.3027 0.9487 0.4420 0.076 Uiso 1 1 calc R . .
C22 C 0.33578(13) 0.97330(12) 0.74672(7) 0.0559(3) Uani 1 1 d . . .
H22 H 0.4234 0.9498 0.7432 0.067 Uiso 1 1 calc R . .
C1 C 0.17581(12) 0.74474(11) 0.62335(6) 0.0434(3) Uani 1 1 d . . .
H1A H 0.1947 0.6615 0.6060 0.052 Uiso 1 1 calc R . .
H1B H 0.0882 0.7437 0.6424 0.052 Uiso 1 1 calc R . .
C26 C 0.26869(13) 0.47414(13) 0.82466(7) 0.0560(3) Uani 1 1 d . . .
H26 H 0.2639 0.4085 0.8555 0.067 Uiso 1 1 calc R . .
C25 C 0.25307(15) 0.59671(14) 0.84529(7) 0.0604(3) Uani 1 1 d . . .
H25 H 0.2401 0.6141 0.8907 0.073 Uiso 1 1 calc R . .
C11 C -0.09574(16) 1.20989(14) 0.40074(7) 0.0611(4) Uani 1 1 d . . .
H11 H -0.0249 1.2505 0.3808 0.073 Uiso 1 1 calc R . .
C7 C 0.12642(13) 0.98290(13) 0.48987(6) 0.0488(3) Uani 1 1 d . . .
C15 C -0.18193(14) 1.05094(13) 0.47234(6) 0.0525(3) Uani 1 1 d . . .
H15 H -0.1705 0.9834 0.5015 0.063 Uiso 1 1 calc R . .
C5 C 0.30684(13) 0.85825(13) 0.53488(7) 0.0534(3) Uani 1 1 d . . .
H5 H 0.3305 0.7841 0.5083 0.064 Uiso 1 1 calc R . .
C14 C -0.30716(14) 1.09402(14) 0.45880(6) 0.0571(3) Uani 1 1 d . . .
H14 H -0.3783 1.0544 0.4790 0.069 Uiso 1 1 calc R . .
C16 C -0.46704(17) 1.23574(17) 0.39822(9) 0.0744(4) Uani 1 1 d . . .
H16B H -0.5249 1.2163 0.4349 0.112 Uiso 1 1 calc R . .
H16A H -0.4956 1.1922 0.3585 0.112 Uiso 1 1 calc R . .
H16C H -0.4681 1.3247 0.3901 0.112 Uiso 1 1 calc R . .
C21 C 0.30311(16) 1.07739(13) 0.78531(8) 0.0666(4) Uani 1 1 d . . .
H21 H 0.3684 1.1213 0.8080 0.080 Uiso 1 1 calc R . .
C8 C 0.07649(12) 0.89621(12) 0.54348(5) 0.0446(3) Uani 1 1 d . . .
C27 C 0.29143(14) 0.45052(12) 0.75782(7) 0.0564(3) Uani 1 1 d . . .
H27 H 0.3036 0.3682 0.7433 0.068 Uiso 1 1 calc R . .
C28 C 0.29647(13) 0.54810(12) 0.71170(6) 0.0513(3) Uani 1 1 d . . .
H28 H 0.3129 0.5301 0.6667 0.062 Uiso 1 1 calc R . .
C12 C -0.22146(16) 1.25264(13) 0.38777(7) 0.0630(4) Uani 1 1 d . . .
H12 H -0.2332 1.3216 0.3596 0.076 Uiso 1 1 calc R . .
C19 C 0.08079(14) 1.05030(14) 0.75604(8) 0.0618(3) Uani 1 1 d . . .
H19 H -0.0061 1.0765 0.7585 0.074 Uiso 1 1 calc R . .
C20 C 0.17513(17) 1.11594(13) 0.79013(8) 0.0634(4) Uani 1 1 d . . .
H20 H 0.1528 1.1855 0.8161 0.076 Uiso 1 1 calc R . .
C10 C -0.07269(14) 1.10736(12) 0.44299(6) 0.0497(3) Uani 1 1 d . . .
C13 C -0.32978(16) 1.19500(14) 0.41576(7) 0.0568(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
O1 C8 1.2281(15) . ?
N1 C8 1.3494(16) . ?
N1 C1 1.4512(14) . ?
N1 C5 1.4647(16) . ?
C2 C17 1.5310(15) . ?
C2 C23 1.5424(15) . ?
C2 C1 1.5480(16) . ?
C2 C3 1.5531(15) . ?
C23 C24 1.3887(16) . ?
C23 C28 1.3912(17) . ?
C18 C19 1.3872(19) . ?
C18 C17 1.3910(16) . ?
C18 H18 0.9300 . ?
C17 C22 1.3879(17) . ?
C24 C25 1.3827(19) . ?
C24 H24 0.9300 . ?
C9 C7 1.3421(18) . ?
C9 C10 1.465(2) . ?
C9 H9 0.9300 . ?
C3 C4 1.5306(17) . ?
C3 H3B 0.9700 . ?
C3 H3A 0.9700 . ?
C4 C5 1.511(2) . ?
C4 H4B 0.9700 . ?
C4 H4A 0.9700 . ?
C6 C7 1.5157(19) . ?
C6 C5 1.5334(19) . ?
C6 H6B 0.9700 . ?
C6 H6A 0.9700 . ?
C22 C21 1.387(2) . ?
C22 H22 0.9300 . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C26 C27 1.371(2) . ?
C26 C25 1.376(2) . ?
C26 H26 0.9300 . ?
C25 H25 0.9300 . ?
C11 C12 1.384(2) . ?
C11 C10 1.3961(18) . ?
C11 H11 0.9300 . ?
C7 C8 1.4981(17) . ?
C15 C14 1.383(2) . ?
C15 C10 1.3930(19) . ?
C15 H15 0.9300 . ?
C5 H5 0.9800 . ?
C14 C13 1.3922(19) . ?
C14 H14 0.9300 . ?
C16 C13 1.506(2) . ?
C16 H16B 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16C 0.9600 . ?
C21 C20 1.371(2) . ?
C21 H21 0.9300 . ?
C27 C28 1.3855(18) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C12 C13 1.380(2) . ?
C12 H12 0.9300 . ?
C19 C20 1.368(2) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?

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
C8 N1 C1 124.38(10) . . ?
C8 N1 C5 116.13(10) . . ?
C1 N1 C5 119.30(10) . . ?
C17 C2 C23 109.50(9) . . ?
C17 C2 C1 111.44(9) . . ?
C23 C2 C1 108.18(9) . . ?
C17 C2 C3 111.70(9) . . ?
C23 C2 C3 109.98(9) . . ?
C1 C2 C3 105.93(9) . . ?
C24 C23 C28 116.91(11) . . ?
C24 C23 C2 122.35(10) . . ?
C28 C23 C2 120.71(10) . . ?
C19 C18 C17 121.08(12) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C22 C17 C18 116.72(11) . . ?
C22 C17 C2 121.04(10) . . ?
C18 C17 C2 121.97(10) . . ?
C25 C24 C23 121.43(12) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C7 C9 C10 135.20(12) . . ?
C7 C9 H9 112.4 . . ?
C10 C9 H9 112.4 . . ?
C4 C3 C2 112.32(10) . . ?
C4 C3 H3B 109.1 . . ?
C2 C3 H3B 109.1 . . ?
C4 C3 H3A 109.1 . . ?
C2 C3 H3A 109.1 . . ?
H3B C3 H3A 107.9 . . ?
C5 C4 C3 111.55(11) . . ?
C5 C4 H4B 109.3 . . ?
C3 C4 H4B 109.3 . . ?
C5 C4 H4A 109.3 . . ?
C3 C4 H4A 109.3 . . ?
H4B C4 H4A 108.0 . . ?
C7 C6 C5 106.14(11) . . ?
C7 C6 H6B 110.5 . . ?
C5 C6 H6B 110.5 . . ?
C7 C6 H6A 110.5 . . ?
C5 C6 H6A 110.5 . . ?
H6B C6 H6A 108.7 . . ?
C21 C22 C17 121.83(13) . . ?
C21 C22 H22 119.1 . . ?
C17 C22 H22 119.1 . . ?
N1 C1 C2 110.09(9) . . ?
N1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.2 . . ?
C27 C26 C25 118.80(12) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C26 C25 C24 120.74(12) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C12 C11 C10 121.63(14) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C9 C7 C8 131.09(12) . . ?
C9 C7 C6 121.72(12) . . ?
C8 C7 C6 107.10(11) . . ?
C14 C15 C10 120.92(12) . . ?
C14 C15 H15 119.5 . . ?
C10 C15 H15 119.5 . . ?
N1 C5 C4 109.97(10) . . ?
N1 C5 C6 102.66(10) . . ?
C4 C5 C6 115.68(13) . . ?
N1 C5 H5 109.4 . . ?
C4 C5 H5 109.4 . . ?
C6 C5 H5 109.4 . . ?
C15 C14 C13 121.87(14) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16A 109.5 . . ?
H16B C16 H16A 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
C20 C21 C22 120.38(13) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
O1 C8 N1 123.56(11) . . ?
O1 C8 C7 129.53(11) . . ?
N1 C8 C7 106.90(10) . . ?
C26 C27 C28 120.63(12) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 C23 121.46(12) . . ?
C27 C28 H28 119.3 . . ?
C23 C28 H28 119.3 . . ?
C13 C12 C11 121.33(13) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C20 C19 C18 121.14(14) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 118.81(13) . . ?
C19 C20 H20 120.6 . . ?
C21 C20 H20 120.6 . . ?
C15 C10 C11 116.98(13) . . ?
C15 C10 C9 125.95(11) . . ?
C11 C10 C9 117.05(13) . . ?
C12 C13 C14 117.24(14) . . ?
C12 C13 C16 121.50(13) . . ?
C14 C13 C16 121.20(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
C17 C2 C23 C24 -3.44(15) . . . . ?
C1 C2 C23 C24 -125.07(12) . . . . ?
C3 C2 C23 C24 119.66(13) . . . . ?
C17 C2 C23 C28 174.79(11) . . . . ?
C1 C2 C23 C28 53.15(14) . . . . ?
C3 C2 C23 C28 -62.12(14) . . . . ?
C19 C18 C17 C22 -1.65(19) . . . . ?
C19 C18 C17 C2 172.36(12) . . . . ?
C23 C2 C17 C22 82.34(13) . . . . ?
C1 C2 C17 C22 -158.01(11) . . . . ?
C3 C2 C17 C22 -39.74(14) . . . . ?
C23 C2 C17 C18 -91.42(13) . . . . ?
C1 C2 C17 C18 28.23(15) . . . . ?
C3 C2 C17 C18 146.50(11) . . . . ?
C28 C23 C24 C25 -0.7(2) . . . . ?
C2 C23 C24 C25 177.61(12) . . . . ?
C17 C2 C3 C4 -62.73(13) . . . . ?
C23 C2 C3 C4 175.47(11) . . . . ?
C1 C2 C3 C4 58.79(13) . . . . ?
C2 C3 C4 C5 -56.50(15) . . . . ?
C18 C17 C22 C21 2.37(19) . . . . ?
C2 C17 C22 C21 -171.70(12) . . . . ?
C8 N1 C1 C2 -129.01(12) . . . . ?
C5 N1 C1 C2 56.19(14) . . . . ?
C17 C2 C1 N1 65.73(12) . . . . ?
C23 C2 C1 N1 -173.83(9) . . . . ?
C3 C2 C1 N1 -55.94(12) . . . . ?
C27 C26 C25 C24 1.8(2) . . . . ?
C23 C24 C25 C26 -1.0(2) . . . . ?
C10 C9 C7 C8 -1.3(3) . . . . ?
C10 C9 C7 C6 -177.39(15) . . . . ?
C5 C6 C7 C9 -176.35(12) . . . . ?
C5 C6 C7 C8 6.77(15) . . . . ?
C8 N1 C5 C4 134.04(12) . . . . ?
C1 N1 C5 C4 -50.74(16) . . . . ?
C8 N1 C5 C6 10.38(15) . . . . ?
C1 N1 C5 C6 -174.40(11) . . . . ?
C3 C4 C5 N1 48.02(15) . . . . ?
C3 C4 C5 C6 163.71(11) . . . . ?
C7 C6 C5 N1 -9.74(15) . . . . ?
C7 C6 C5 C4 -129.51(13) . . . . ?
C10 C15 C14 C13 -0.2(2) . . . . ?
C17 C22 C21 C20 -1.5(2) . . . . ?
C1 N1 C8 O1 -0.12(19) . . . . ?
C5 N1 C8 O1 174.82(12) . . . . ?
C1 N1 C8 C7 178.72(11) . . . . ?
C5 N1 C8 C7 -6.34(15) . . . . ?
C9 C7 C8 O1 1.6(2) . . . . ?
C6 C7 C8 O1 178.03(14) . . . . ?
C9 C7 C8 N1 -177.19(14) . . . . ?
C6 C7 C8 N1 -0.72(14) . . . . ?
C25 C26 C27 C28 -1.0(2) . . . . ?
C26 C27 C28 C23 -0.6(2) . . . . ?
C24 C23 C28 C27 1.45(19) . . . . ?
C2 C23 C28 C27 -176.87(12) . . . . ?
C10 C11 C12 C13 -0.5(2) . . . . ?
C17 C18 C19 C20 0.0(2) . . . . ?
C18 C19 C20 C21 1.0(2) . . . . ?
C22 C21 C20 C19 -0.3(2) . . . . ?
C14 C15 C10 C11 1.18(19) . . . . ?
C14 C15 C10 C9 -177.09(13) . . . . ?
C12 C11 C10 C15 -0.9(2) . . . . ?
C12 C11 C10 C9 177.55(13) . . . . ?
C7 C9 C10 C15 -8.5(2) . . . . ?
C7 C9 C10 C11 173.20(15) . . . . ?
C11 C12 C13 C14 1.5(2) . . . . ?
C11 C12 C13 C16 -175.91(15) . . . . ?
C15 C14 C13 C12 -1.2(2) . . . . ?
C15 C14 C13 C16 176.22(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        71.06
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         0.114
_refine_diff_density_min         -0.123
_refine_diff_density_rms         0.025
_database_code_depnum_ccdc_archive 'CCDC 972713'
