# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_z
_database_code_depnum_ccdc_archive 'CCDC 984118'
_audit_update_record             
;
2014-09-21 deposited with the CCDC.
2017-03-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H30 N2 O5'
_chemical_formula_weight         414.49

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'

_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                   12.0803(4)
_cell_length_b                   14.8270(5)
_cell_length_c                   13.7314(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.9840(10)
_cell_angle_gamma                90.00
_cell_volume                     2229.35(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(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          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             888
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9727
_exptl_absorpt_correction_T_max  0.9828
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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_reflns_number            25734
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3936
_reflns_number_gt                2847
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0731P)²+0.6459P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3936
_refine_ls_number_parameters     276
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1483
_refine_ls_wR_factor_gt          0.1285
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_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 0.9471(3) -0.15060(17) 0.5508(3) 0.1513(12) Uani 1 1 d . . .
O2 O 0.8353(3) -0.17893(16) 0.6335(2) 0.1284(10) Uani 1 1 d . . .
O3 O 0.70099(15) 0.26572(10) 0.68975(12) 0.0633(4) Uani 1 1 d . . .
O4 O 0.84460(12) 0.19724(9) 0.65460(10) 0.0526(4) Uani 1 1 d . . .
O5 O 0.50619(13) 0.20511(11) 0.43046(14) 0.0696(5) Uani 1 1 d . . .
H5B H 0.4830 0.2568 0.4323 0.097(10) Uiso 1 1 calc R . .
N1 N 0.61620(16) 0.35945(11) 0.50267(15) 0.0481(4) Uani 1 1 d . . .
N2 N 0.8649(3) -0.13194(16) 0.5754(2) 0.0963(8) Uani 1 1 d . . .
C1 C 0.6469(2) 0.05713(14) 0.52776(18) 0.0603(6) Uani 1 1 d . . .
H1A H 0.5855 0.0744 0.5478 0.072 Uiso 1 1 calc R . .
C2 C 0.7052(2) -0.02463(15) 0.5625(2) 0.0694(7) Uani 1 1 d . . .
H2A H 0.6844 -0.0622 0.6064 0.083 Uiso 1 1 calc R . .
C3 C 0.7945(2) -0.04907(14) 0.5308(2) 0.0663(6) Uani 1 1 d . . .
C4 C 0.8229(2) 0.00307(16) 0.4624(2) 0.0679(7) Uani 1 1 d . . .
H4A H 0.8815 -0.0160 0.4396 0.081 Uiso 1 1 calc R . .
C5 C 0.7636(2) 0.08424(14) 0.42760(18) 0.0584(6) Uani 1 1 d . . .
H5A H 0.7808 0.1193 0.3796 0.070 Uiso 1 1 calc R . .
C6 C 0.67896(19) 0.11395(13) 0.46329(16) 0.0493(5) Uani 1 1 d . . .
C7 C 0.62455(18) 0.20711(13) 0.43456(17) 0.0496(5) Uani 1 1 d . . .
H7A H 0.6175 0.2218 0.3626 0.060 Uiso 1 1 calc R . .
C8 C 0.70246(17) 0.28509(12) 0.51493(15) 0.0423(4) Uani 1 1 d . . .
C9 C 0.63069(17) 0.44894(12) 0.46990(16) 0.0443(5) Uani 1 1 d . . .
C10 C 0.59685(17) 0.46836(13) 0.36187(16) 0.0499(5) Uani 1 1 d . . .
C11 C 0.60893(19) 0.55669(14) 0.33313(18) 0.0563(5) Uani 1 1 d . . .
H11A H 0.5896 0.5694 0.2614 0.068 Uiso 1 1 calc R . .
C12 C 0.64841(19) 0.62593(14) 0.40664(19) 0.0583(6) Uani 1 1 d . . .
C13 C 0.67685(18) 0.60540(14) 0.51286(18) 0.0557(6) Uani 1 1 d . . .
H13A H 0.7018 0.6516 0.5634 0.067 Uiso 1 1 calc R . .
C14 C 0.66940(17) 0.51852(13) 0.54643(16) 0.0467(5) Uani 1 1 d . . .
C15 C 0.74710(18) 0.24965(13) 0.62957(16) 0.0450(5) Uani 1 1 d . . .
C16 C 0.8979(2) 0.15675(16) 0.76025(17) 0.0603(6) Uani 1 1 d . . .
H16A H 0.8398 0.1166 0.7697 0.072 Uiso 1 1 calc R . .
H16B H 0.9214 0.2030 0.8154 0.072 Uiso 1 1 calc R . .
C17 C 1.0067(2) 0.10568(19) 0.7673(2) 0.0798(8) Uani 1 1 d . . .
H17A H 1.0450 0.0771 0.8364 0.120 Uiso 1 1 calc R . .
H17B H 1.0635 0.1463 0.7581 0.120 Uiso 1 1 calc R . .
H17C H 0.9820 0.0606 0.7120 0.120 Uiso 1 1 calc R . .
C18 C 0.81112(18) 0.31110(13) 0.49123(16) 0.0465(5) Uani 1 1 d . . .
H18A H 0.7800 0.3402 0.4215 0.056 Uiso 1 1 calc R . .
H18B H 0.8521 0.2562 0.4862 0.056 Uiso 1 1 calc R . .
C19 C 0.9060(2) 0.37347(15) 0.57294(19) 0.0591(6) Uani 1 1 d . . .
H19A H 0.8735 0.4343 0.5622 0.071 Uiso 1 1 calc R . .
H19B H 0.9189 0.3547 0.6446 0.071 Uiso 1 1 calc R . .
C20 C 1.0240(3) 0.3746(3) 0.5665(3) 0.1169(13) Uani 1 1 d . . .
H20A H 1.0787 0.4147 0.6201 0.175 Uiso 1 1 calc R . .
H20B H 1.0127 0.3950 0.4965 0.175 Uiso 1 1 calc R . .
H20C H 1.0579 0.3149 0.5786 0.175 Uiso 1 1 calc R . .
C21 C 0.7019(2) 0.50089(16) 0.66337(17) 0.0593(6) Uani 1 1 d . . .
H21A H 0.7257 0.5564 0.7028 0.089 Uiso 1 1 calc R . .
H21B H 0.7683 0.4587 0.6911 0.089 Uiso 1 1 calc R . .
H21C H 0.6323 0.4763 0.6708 0.089 Uiso 1 1 calc R . .
C22 C 0.5406(2) 0.39956(16) 0.27442(17) 0.0633(6) Uani 1 1 d . . .
H22A H 0.5241 0.4267 0.2062 0.095 Uiso 1 1 calc R . .
H22B H 0.4657 0.3780 0.2745 0.095 Uiso 1 1 calc R . .
H22C H 0.5960 0.3500 0.2867 0.095 Uiso 1 1 calc R . .
C23 C 0.6574(3) 0.72134(16) 0.3721(2) 0.0882(9) Uani 1 1 d . . .
H23A H 0.6863 0.7603 0.4337 0.132 Uiso 1 1 calc R . .
H23B H 0.5783 0.7412 0.3215 0.132 Uiso 1 1 calc R . .
H23C H 0.7133 0.7232 0.3390 0.132 Uiso 1 1 calc R . .
H1B H 0.605(2) 0.3617(15) 0.5594(19) 0.061(7) Uiso 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 N2 1.209(4) . ?
O2 N2 1.222(4) . ?
O3 C15 1.199(2) . ?
O4 C15 1.329(2) . ?
O4 C16 1.446(2) . ?
O5 C7 1.407(2) . ?
O5 H5B 0.8200 . ?
N1 C9 1.435(2) . ?
N1 C8 1.477(2) . ?
N1 H1B 0.84(2) . ?
N2 C3 1.472(3) . ?
C1 C2 1.382(3) . ?
C1 C6 1.390(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.372(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.368(4) . ?
C4 C5 1.379(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.379(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.509(3) . ?
C7 C8 1.601(3) . ?
C7 H7A 0.9800 . ?
C8 C15 1.526(3) . ?
C8 C18 1.529(3) . ?
C9 C10 1.392(3) . ?
C9 C14 1.404(3) . ?
C10 C11 1.393(3) . ?
C10 C22 1.502(3) . ?
C11 C12 1.376(3) . ?
C11 H11A 0.9300 . ?
C12 C13 1.384(3) . ?
C12 C23 1.511(3) . ?
C13 C14 1.384(3) . ?
C13 H13A 0.9300 . ?
C14 C21 1.506(3) . ?
C16 C17 1.484(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.530(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.466(3) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
C15 O4 C16 118.19(16) . . ?
C7 O5 H5B 109.5 . . ?
C9 N1 C8 123.52(16) . . ?
C9 N1 H1B 109.9(16) . . ?
C8 N1 H1B 107.6(16) . . ?
O1 N2 O2 123.7(3) . . ?
O1 N2 C3 118.3(3) . . ?
O2 N2 C3 118.1(3) . . ?
C2 C1 C6 120.9(2) . . ?
C2 C1 H1A 119.6 . . ?
C6 C1 H1A 119.6 . . ?
C3 C2 C1 118.5(2) . . ?
C3 C2 H2A 120.8 . . ?
C1 C2 H2A 120.8 . . ?
C4 C3 C2 121.9(2) . . ?
C4 C3 N2 119.3(3) . . ?
C2 C3 N2 118.8(3) . . ?
C3 C4 C5 119.1(2) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C1 118.7(2) . . ?
C5 C6 C7 120.39(19) . . ?
C1 C6 C7 120.90(19) . . ?
O5 C7 C6 108.32(16) . . ?
O5 C7 C8 109.53(16) . . ?
C6 C7 C8 114.62(16) . . ?
O5 C7 H7A 108.1 . . ?
C6 C7 H7A 108.1 . . ?
C8 C7 H7A 108.1 . . ?
N1 C8 C15 107.43(15) . . ?
N1 C8 C18 114.52(15) . . ?
C15 C8 C18 110.20(15) . . ?
N1 C8 C7 106.23(15) . . ?
C15 C8 C7 108.13(15) . . ?
C18 C8 C7 110.06(15) . . ?
C10 C9 C14 120.03(18) . . ?
C10 C9 N1 120.36(18) . . ?
C14 C9 N1 119.38(18) . . ?
C9 C10 C11 118.52(19) . . ?
C9 C10 C22 122.79(19) . . ?
C11 C10 C22 118.57(19) . . ?
C12 C11 C10 122.6(2) . . ?
C12 C11 H11A 118.7 . . ?
C10 C11 H11A 118.7 . . ?
C11 C12 C13 117.6(2) . . ?
C11 C12 C23 121.1(2) . . ?
C13 C12 C23 121.2(2) . . ?
C12 C13 C14 122.3(2) . . ?
C12 C13 H13A 118.9 . . ?
C14 C13 H13A 118.9 . . ?
C13 C14 C9 118.85(19) . . ?
C13 C14 C21 119.50(19) . . ?
C9 C14 C21 121.65(18) . . ?
O3 C15 O4 123.82(18) . . ?
O3 C15 C8 125.29(18) . . ?
O4 C15 C8 110.89(16) . . ?
O4 C16 C17 106.49(18) . . ?
O4 C16 H16A 110.4 . . ?
C17 C16 H16A 110.4 . . ?
O4 C16 H16B 110.4 . . ?
C17 C16 H16B 110.4 . . ?
H16A C16 H16B 108.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C8 C18 C19 116.15(16) . . ?
C8 C18 H18A 108.2 . . ?
C19 C18 H18A 108.2 . . ?
C8 C18 H18B 108.2 . . ?
C19 C18 H18B 108.2 . . ?
H18A C18 H18B 107.4 . . ?
C20 C19 C18 114.1(2) . . ?
C20 C19 H19A 108.7 . . ?
C18 C19 H19A 108.7 . . ?
C20 C19 H19B 108.7 . . ?
C18 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C14 C21 H21A 109.5 . . ?
C14 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C14 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C10 C22 H22A 109.5 . . ?
C10 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C10 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C12 C23 H23A 109.5 . . ?
C12 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C12 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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 -0.8(3) . . . . ?
C1 C2 C3 C4 -3.0(4) . . . . ?
C1 C2 C3 N2 174.4(2) . . . . ?
O1 N2 C3 C4 0.9(4) . . . . ?
O2 N2 C3 C4 -177.7(3) . . . . ?
O1 N2 C3 C2 -176.6(3) . . . . ?
O2 N2 C3 C2 4.8(4) . . . . ?
C2 C3 C4 C5 2.6(4) . . . . ?
N2 C3 C4 C5 -174.8(2) . . . . ?
C3 C4 C5 C6 1.7(3) . . . . ?
C4 C5 C6 C1 -5.4(3) . . . . ?
C4 C5 C6 C7 173.32(19) . . . . ?
C2 C1 C6 C5 5.0(3) . . . . ?
C2 C1 C6 C7 -173.8(2) . . . . ?
C5 C6 C7 O5 150.55(19) . . . . ?
C1 C6 C7 O5 -30.8(3) . . . . ?
C5 C6 C7 C8 -86.8(2) . . . . ?
C1 C6 C7 C8 91.9(2) . . . . ?
C9 N1 C8 C15 123.6(2) . . . . ?
C9 N1 C8 C18 0.8(3) . . . . ?
C9 N1 C8 C7 -120.9(2) . . . . ?
O5 C7 C8 N1 -35.3(2) . . . . ?
C6 C7 C8 N1 -157.29(17) . . . . ?
O5 C7 C8 C15 79.74(19) . . . . ?
C6 C7 C8 C15 -42.2(2) . . . . ?
O5 C7 C8 C18 -159.84(16) . . . . ?
C6 C7 C8 C18 78.2(2) . . . . ?
C8 N1 C9 C10 79.8(2) . . . . ?
C8 N1 C9 C14 -105.7(2) . . . . ?
C14 C9 C10 C11 3.5(3) . . . . ?
N1 C9 C10 C11 178.07(18) . . . . ?
C14 C9 C10 C22 -172.48(18) . . . . ?
N1 C9 C10 C22 2.0(3) . . . . ?
C9 C10 C11 C12 -2.6(3) . . . . ?
C22 C10 C11 C12 173.6(2) . . . . ?
C10 C11 C12 C13 0.1(3) . . . . ?
C10 C11 C12 C23 -178.5(2) . . . . ?
C11 C12 C13 C14 1.5(3) . . . . ?
C23 C12 C13 C14 -179.9(2) . . . . ?
C12 C13 C14 C9 -0.5(3) . . . . ?
C12 C13 C14 C21 179.92(19) . . . . ?
C10 C9 C14 C13 -2.1(3) . . . . ?
N1 C9 C14 C13 -176.63(17) . . . . ?
C10 C9 C14 C21 177.48(18) . . . . ?
N1 C9 C14 C21 2.9(3) . . . . ?
C16 O4 C15 O3 0.4(3) . . . . ?
C16 O4 C15 C8 -179.11(16) . . . . ?
N1 C8 C15 O3 14.7(3) . . . . ?
C18 C8 C15 O3 140.0(2) . . . . ?
C7 C8 C15 O3 -99.6(2) . . . . ?
N1 C8 C15 O4 -165.85(15) . . . . ?
C18 C8 C15 O4 -40.5(2) . . . . ?
C7 C8 C15 O4 79.87(19) . . . . ?
C15 O4 C16 C17 -177.75(19) . . . . ?
N1 C8 C18 C19 70.2(2) . . . . ?
C15 C8 C18 C19 -51.1(2) . . . . ?
C7 C8 C18 C19 -170.23(17) . . . . ?
C8 C18 C19 C20 162.2(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.264
_refine_diff_density_min         -0.190
_refine_diff_density_rms         0.037
