# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
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data_cu_dm16564_0m
_audit_block_doi                 10.5517/ccdc.csd.cc1mnd8y
_database_code_depnum_ccdc_archive 'CCDC 1509150'
_audit_update_record             
;
2016-10-10 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
_audit_creation_date             2016-09-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H27 N O2'
_chemical_formula_sum            'C22 H27 N O2'
_chemical_formula_weight         337.44
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.8823(2)
_cell_length_b                   6.16060(10)
_cell_length_c                   13.2198(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.1510(10)
_cell_angle_gamma                90
_cell_volume                     955.40(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5028
_cell_measurement_temperature    130
_cell_measurement_theta_max      69.284
_cell_measurement_theta_min      4.651
_shelx_estimated_absorpt_T_max   0.934
_shelx_estimated_absorpt_T_min   0.893
_exptl_absorpt_coefficient_mu    0.581
_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.5525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1305 before and 0.0443 after correction.
The Ratio of minimum to maximum transmission is 0.7335.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             364
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6950
_diffrn_reflns_point_group_measured_fraction_full 0.856
_diffrn_reflns_point_group_measured_fraction_max 0.840
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.447
_diffrn_reflns_theta_min         3.386
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.555
_reflns_Friedel_fraction_full    0.687
_reflns_Friedel_fraction_max     0.666
_reflns_number_gt                2951
_reflns_number_total             3014
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.213
_refine_diff_density_min         -0.186
_refine_diff_density_rms         0.039
_refine_ls_abs_structure_details 
;
 Flack x determined using 1040 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3014
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0345
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0521P)²+0.1114P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0901
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C17(H17), C18(H18),
 C20(H20), C21(H21)
2.c X=CH2 refined with riding coordinates:
 C4(H4A,H4B)
2.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.70063(13) 0.8305(2) 0.40501(11) 0.0368(4) Uani 1 1 d . . . . .
O2 O 0.69800(10) 0.5263(2) 0.49792(9) 0.0265(3) Uani 1 1 d . . . . .
N1 N 0.77613(16) 0.2749(3) 0.36465(13) 0.0320(4) Uani 1 1 d . . . . .
C1 C 0.73277(14) 0.4850(3) 0.32633(13) 0.0234(4) Uani 1 1 d . . . . .
C2 C 0.82692(14) 0.6002(3) 0.27360(12) 0.0238(4) Uani 1 1 d . . . . .
H2 H 0.8002 0.7514 0.2559 0.029 Uiso 1 1 calc R . . . .
C3 C 0.93793(15) 0.6163(4) 0.34700(14) 0.0316(4) Uani 1 1 d . . . . .
H3 H 0.9813 0.4873 0.3615 0.038 Uiso 1 1 calc R . . . .
C4 C 0.97865(18) 0.7962(4) 0.39214(16) 0.0425(5) Uani 1 1 d . . . . .
H4A H 0.9375 0.9283 0.3794 0.051 Uiso 1 1 calc R . . . .
H4B H 1.0492 0.7943 0.4375 0.051 Uiso 1 1 calc R . . . .
C5 C 0.70907(14) 0.6364(3) 0.41403(12) 0.0241(4) Uani 1 1 d . . . . .
C6 C 0.68539(15) 0.6385(4) 0.59504(13) 0.0309(4) Uani 1 1 d . . . . .
C7 C 0.79180(19) 0.7680(5) 0.63098(17) 0.0507(6) Uani 1 1 d . . . . .
H7A H 0.8587 0.6738 0.6339 0.076 Uiso 1 1 calc GR . . . .
H7B H 0.7886 0.8269 0.6993 0.076 Uiso 1 1 calc GR . . . .
H7C H 0.7973 0.8876 0.5831 0.076 Uiso 1 1 calc GR . . . .
C8 C 0.6730(3) 0.4497(5) 0.66485(17) 0.0570(7) Uani 1 1 d . . . . .
H8A H 0.6069 0.3623 0.6356 0.085 Uiso 1 1 calc GR . . . .
H8B H 0.6622 0.5041 0.7323 0.085 Uiso 1 1 calc GR . . . .
H8C H 0.7419 0.3600 0.6720 0.085 Uiso 1 1 calc GR . . . .
C9 C 0.57955(17) 0.7789(5) 0.58215(16) 0.0440(6) Uani 1 1 d . . . . .
H9A H 0.5893 0.9017 0.5372 0.066 Uiso 1 1 calc GR . . . .
H9B H 0.5674 0.8334 0.6492 0.066 Uiso 1 1 calc GR . . . .
H9C H 0.5135 0.6927 0.5517 0.066 Uiso 1 1 calc GR . . . .
C10 C 0.62278(14) 0.4642(3) 0.24753(13) 0.0255(4) Uani 1 1 d . . . . .
C11 C 0.55192(15) 0.6420(4) 0.22014(14) 0.0309(4) Uani 1 1 d . . . . .
H11 H 0.5697 0.7783 0.2524 0.037 Uiso 1 1 calc R . . . .
C12 C 0.45557(17) 0.6215(4) 0.14611(16) 0.0412(5) Uani 1 1 d . . . . .
H12 H 0.4075 0.7435 0.1286 0.049 Uiso 1 1 calc R . . . .
C13 C 0.42905(18) 0.4261(5) 0.09786(16) 0.0444(6) Uani 1 1 d . . . . .
H13 H 0.3630 0.4129 0.0473 0.053 Uiso 1 1 calc R . . . .
C14 C 0.49906(19) 0.2493(4) 0.12350(16) 0.0437(5) Uani 1 1 d . . . . .
H14 H 0.4815 0.1142 0.0900 0.052 Uiso 1 1 calc R . . . .
C15 C 0.59536(17) 0.2680(4) 0.19821(15) 0.0349(4) Uani 1 1 d . . . . .
H15 H 0.6428 0.1451 0.2156 0.042 Uiso 1 1 calc R . . . .
C16 C 0.84166(13) 0.4867(3) 0.17435(13) 0.0254(4) Uani 1 1 d . . . . .
C17 C 0.80006(15) 0.5835(4) 0.08087(14) 0.0311(4) Uani 1 1 d . . . . .
H17 H 0.7639 0.7212 0.0799 0.037 Uiso 1 1 calc R . . . .
C18 C 0.81037(16) 0.4828(4) -0.01092(15) 0.0384(5) Uani 1 1 d . . . . .
H18 H 0.7812 0.5527 -0.0737 0.046 Uiso 1 1 calc R . . . .
C19 C 0.86268(15) 0.2812(4) -0.01284(15) 0.0368(5) Uani 1 1 d . . . . .
C20 C 0.90525(16) 0.1857(4) 0.08020(16) 0.0366(5) Uani 1 1 d . . . . .
H20 H 0.9418 0.0485 0.0809 0.044 Uiso 1 1 calc R . . . .
C21 C 0.89563(16) 0.2862(4) 0.17256(15) 0.0319(4) Uani 1 1 d . . . . .
H21 H 0.9262 0.2175 0.2352 0.038 Uiso 1 1 calc R . . . .
C22 C 0.87392(18) 0.1706(6) -0.11313(17) 0.0525(7) Uani 1 1 d . . . . .
H22A H 0.9200 0.0388 -0.0993 0.079 Uiso 1 1 calc GR . . . .
H22B H 0.9109 0.2694 -0.1557 0.079 Uiso 1 1 calc GR . . . .
H22C H 0.7981 0.1319 -0.1492 0.079 Uiso 1 1 calc GR . . . .
H1A H 0.729(3) 0.191(7) 0.377(3) 0.075(11) Uiso 1 1 d . . . . .
H1B H 0.831(4) 0.281(8) 0.411(3) 0.123(17) 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 C5 1.204(2) . ?
O2 C5 1.324(2) . ?
O2 C6 1.486(2) . ?
N1 C1 1.455(2) . ?
N1 H1A 0.80(4) . ?
N1 H1B 0.82(5) . ?
C1 C2 1.578(2) . ?
C1 C5 1.548(2) . ?
C1 C10 1.542(2) . ?
C2 H2 1.0000 . ?
C2 C3 1.511(2) . ?
C2 C16 1.521(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.314(3) . ?
C4 H4A 0.9500 . ?
C4 H4B 0.9500 . ?
C6 C7 1.507(3) . ?
C6 C8 1.506(3) . ?
C6 C9 1.514(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.394(3) . ?
C10 C15 1.387(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.375(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.379(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.392(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(3) . ?
C16 C21 1.394(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.391(3) . ?
C19 C20 1.385(3) . ?
C19 C22 1.515(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(3) . ?
C21 H21 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 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
C5 O2 C6 121.49(15) . . ?
C1 N1 H1A 115(3) . . ?
C1 N1 H1B 115(4) . . ?
H1A N1 H1B 112(4) . . ?
N1 C1 C2 108.50(14) . . ?
N1 C1 C5 111.84(14) . . ?
N1 C1 C10 112.10(16) . . ?
C5 C1 C2 106.64(14) . . ?
C10 C1 C2 108.87(13) . . ?
C10 C1 C5 108.70(14) . . ?
C1 C2 H2 107.5 . . ?
C3 C2 C1 110.71(14) . . ?
C3 C2 H2 107.5 . . ?
C3 C2 C16 112.06(14) . . ?
C16 C2 C1 111.20(14) . . ?
C16 C2 H2 107.5 . . ?
C2 C3 H3 117.7 . . ?
C4 C3 C2 124.6(2) . . ?
C4 C3 H3 117.7 . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 H4B 120.0 . . ?
H4A C4 H4B 120.0 . . ?
O1 C5 O2 125.01(17) . . ?
O1 C5 C1 123.10(16) . . ?
O2 C5 C1 111.89(15) . . ?
O2 C6 C7 108.89(15) . . ?
O2 C6 C8 101.74(18) . . ?
O2 C6 C9 111.38(14) . . ?
C7 C6 C9 111.9(2) . . ?
C8 C6 C7 112.0(2) . . ?
C8 C6 C9 110.48(19) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C1 121.46(17) . . ?
C15 C10 C1 120.06(17) . . ?
C15 C10 C11 118.40(16) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.5(2) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(2) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.49(19) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.3(2) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 C14 120.7(2) . . ?
C10 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C17 C16 C2 119.76(17) . . ?
C17 C16 C21 117.68(17) . . ?
C21 C16 C2 122.56(16) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.2(2) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.18(19) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 C22 121.3(2) . . ?
C20 C19 C18 117.68(18) . . ?
C20 C19 C22 121.0(2) . . ?
C19 C20 H20 119.3 . . ?
C19 C20 C21 121.4(2) . . ?
C21 C20 H20 119.3 . . ?
C16 C21 H21 119.6 . . ?
C20 C21 C16 120.81(19) . . ?
C20 C21 H21 119.6 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 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
N1 C1 C2 C3 -55.5(2) . . . . ?
N1 C1 C2 C16 69.73(18) . . . . ?
N1 C1 C5 O1 160.85(18) . . . . ?
N1 C1 C5 O2 -20.0(2) . . . . ?
N1 C1 C10 C11 163.97(15) . . . . ?
N1 C1 C10 C15 -19.4(2) . . . . ?
C1 C2 C3 C4 -106.1(2) . . . . ?
C1 C2 C16 C17 106.45(19) . . . . ?
C1 C2 C16 C21 -73.4(2) . . . . ?
C1 C10 C11 C12 177.51(16) . . . . ?
C1 C10 C15 C14 -177.06(16) . . . . ?
C2 C1 C5 O1 42.4(2) . . . . ?
C2 C1 C5 O2 -138.46(14) . . . . ?
C2 C1 C10 C11 -75.98(19) . . . . ?
C2 C1 C10 C15 100.70(18) . . . . ?
C2 C16 C17 C18 -178.90(18) . . . . ?
C2 C16 C21 C20 178.62(17) . . . . ?
C3 C2 C16 C17 -129.05(18) . . . . ?
C3 C2 C16 C21 51.2(2) . . . . ?
C5 O2 C6 C7 -63.0(2) . . . . ?
C5 O2 C6 C8 178.62(18) . . . . ?
C5 O2 C6 C9 60.9(2) . . . . ?
C5 C1 C2 C3 65.09(19) . . . . ?
C5 C1 C2 C16 -169.65(14) . . . . ?
C5 C1 C10 C11 39.8(2) . . . . ?
C5 C1 C10 C15 -143.50(16) . . . . ?
C6 O2 C5 O1 -6.5(3) . . . . ?
C6 O2 C5 C1 174.35(13) . . . . ?
C10 C1 C2 C3 -177.79(17) . . . . ?
C10 C1 C2 C16 -52.53(19) . . . . ?
C10 C1 C5 O1 -74.8(2) . . . . ?
C10 C1 C5 O2 104.31(16) . . . . ?
C10 C11 C12 C13 -0.6(3) . . . . ?
C11 C10 C15 C14 -0.3(3) . . . . ?
C11 C12 C13 C14 0.0(3) . . . . ?
C12 C13 C14 C15 0.5(3) . . . . ?
C13 C14 C15 C10 -0.4(3) . . . . ?
C15 C10 C11 C12 0.8(3) . . . . ?
C16 C2 C3 C4 129.1(2) . . . . ?
C16 C17 C18 C19 0.0(3) . . . . ?
C17 C16 C21 C20 -1.2(3) . . . . ?
C17 C18 C19 C20 -0.7(3) . . . . ?
C17 C18 C19 C22 179.9(2) . . . . ?
C18 C19 C20 C21 0.4(3) . . . . ?
C19 C20 C21 C16 0.5(3) . . . . ?
C21 C16 C17 C18 0.9(3) . . . . ?
C22 C19 C20 C21 179.82(19) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
