# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_wsp110510282_a
_database_code_depnum_ccdc_archive 'CCDC 2080216'
_audit_update_record             
;
2021-04-26 deposited with the CCDC.	2021-07-13 downloaded from the CCDC.
;
_audit_creation_date             2020-11-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H23 N O'
_chemical_formula_sum            'C21 H23 N O'
_chemical_formula_weight         305.40
_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 0.0033 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'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   6.747(2)
_cell_length_b                   9.863(3)
_cell_length_c                   25.692(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.475(9)
_cell_angle_gamma                90
_cell_volume                     1702.0(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8374
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      3.03
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.984
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0645 before and 0.0547 after correction.
The Ratio of minimum to maximum transmission is 0.9289.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0201
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            17903
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.389
_diffrn_reflns_theta_min         2.608
_diffrn_ambient_temperature      297.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-III CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2543
_reflns_number_total             3124
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.358
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         3124
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0470
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0764P)²+0.3813P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1424
_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 Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C8(H8A,H8B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C11(H11), C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_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 0.47816(19) 0.72717(16) 0.67287(7) 0.0871(5) Uani 1 1 d . . . . .
N1 N 0.80739(17) 0.71287(13) 0.65690(5) 0.0444(3) Uani 1 1 d . . . . .
C1 C 0.6259(2) 0.77365(18) 0.65543(6) 0.0521(4) Uani 1 1 d . . . . .
C2 C 0.6302(2) 0.91193(16) 0.62939(6) 0.0469(4) Uani 1 1 d . . . . .
C3 C 0.8460(2) 0.92598(15) 0.61284(6) 0.0454(4) Uani 1 1 d . . . . .
C4 C 0.9496(2) 0.79197(16) 0.63044(6) 0.0478(4) Uani 1 1 d . . . . .
H4A H 0.989075 0.742747 0.600413 0.057 Uiso 1 1 calc R U . . .
H4B H 1.067665 0.810168 0.654007 0.057 Uiso 1 1 calc R U . . .
C5 C 0.8464(2) 0.94078(17) 0.55315(6) 0.0534(4) Uani 1 1 d . . . . .
H5A H 0.803136 1.031645 0.543085 0.064 Uiso 1 1 calc R U . . .
H5B H 0.981557 0.929755 0.543914 0.064 Uiso 1 1 calc R U . . .
C6 C 0.7150(3) 0.84055(17) 0.52293(6) 0.0530(4) Uani 1 1 d . . . . .
C7 C 0.5239(2) 0.82521(17) 0.53797(6) 0.0525(4) Uani 1 1 d . . . . .
C8 C 0.4702(2) 0.91210(19) 0.58227(6) 0.0553(4) Uani 1 1 d . . . . .
H8A H 0.345470 0.880211 0.593695 0.066 Uiso 1 1 calc R U . . .
H8B H 0.450019 1.004422 0.569870 0.066 Uiso 1 1 calc R U . . .
C9 C 0.3924(3) 0.73624(19) 0.51077(7) 0.0661(5) Uani 1 1 d . . . . .
H9 H 0.265410 0.725311 0.521409 0.079 Uiso 1 1 calc R U . . .
C10 C 0.4457(4) 0.6633(2) 0.46812(8) 0.0772(6) Uani 1 1 d . . . . .
C11 C 0.6367(4) 0.6788(2) 0.45384(8) 0.0818(7) Uani 1 1 d . . . . .
H11 H 0.675681 0.630124 0.425526 0.098 Uiso 1 1 calc R U . . .
C12 C 0.7714(3) 0.7656(2) 0.48100(7) 0.0701(5) Uani 1 1 d . . . . .
H12 H 0.899930 0.773735 0.471097 0.084 Uiso 1 1 calc R U . . .
C13 C 0.3002(5) 0.5712(3) 0.43760(11) 0.1181(11) Uani 1 1 d . . . . .
H13A H 0.218109 0.527173 0.461039 0.177 Uiso 1 1 calc R U . . .
H13B H 0.371490 0.504148 0.419748 0.177 Uiso 1 1 calc R U . . .
H13C H 0.217885 0.623494 0.412496 0.177 Uiso 1 1 calc R U . . .
C14 C 0.9624(3) 1.04531(18) 0.63847(8) 0.0637(5) Uani 1 1 d . . . . .
H14A H 0.892646 1.128212 0.629607 0.096 Uiso 1 1 calc R U . . .
H14B H 1.092257 1.048828 0.626163 0.096 Uiso 1 1 calc R U . . .
H14C H 0.975441 1.033824 0.675746 0.096 Uiso 1 1 calc R U . . .
C15 C 0.5703(3) 1.0179(2) 0.66882(7) 0.0668(5) Uani 1 1 d . . . . .
H15A H 0.439733 0.997414 0.678518 0.100 Uiso 1 1 calc R U . . .
H15B H 0.569814 1.106376 0.653194 0.100 Uiso 1 1 calc R U . . .
H15C H 0.664040 1.016276 0.699373 0.100 Uiso 1 1 calc R U . . .
C16 C 0.8629(2) 0.58507(15) 0.67930(6) 0.0481(4) Uani 1 1 d . . . . .
C17 C 1.0548(3) 0.53764(18) 0.67588(7) 0.0621(5) Uani 1 1 d . . . . .
H17 H 1.145251 0.590115 0.659574 0.075 Uiso 1 1 calc R U . . .
C18 C 1.1122(4) 0.4126(2) 0.69663(8) 0.0774(6) Uani 1 1 d . . . . .
H18 H 1.240670 0.381148 0.693851 0.093 Uiso 1 1 calc R U . . .
C19 C 0.9803(4) 0.3345(2) 0.72136(7) 0.0827(7) Uani 1 1 d . . . . .
H19 H 1.018726 0.250144 0.734976 0.099 Uiso 1 1 calc R U . . .
C20 C 0.7931(4) 0.3821(2) 0.72567(8) 0.0819(7) Uani 1 1 d . . . . .
H20 H 0.704823 0.329981 0.742861 0.098 Uiso 1 1 calc R U . . .
C21 C 0.7315(3) 0.50629(19) 0.70503(7) 0.0651(5) Uani 1 1 d . . . . .
H21 H 0.602989 0.537028 0.708328 0.078 Uiso 1 1 calc R U . . .


_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 C1 1.220(2) . ?
N1 C1 1.361(2) . ?
N1 C4 1.4549(19) . ?
N1 C16 1.421(2) . ?
C1 C2 1.521(2) . ?
C2 C3 1.562(2) . ?
C2 C8 1.543(2) . ?
C2 C15 1.536(2) . ?
C3 C4 1.543(2) . ?
C3 C5 1.541(2) . ?
C3 C14 1.529(2) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.495(2) . ?
C6 C7 1.389(2) . ?
C6 C12 1.389(2) . ?
C7 C8 1.496(2) . ?
C7 C9 1.388(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C10 1.387(3) . ?
C10 C11 1.382(3) . ?
C10 C13 1.502(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.388(3) . ?
C12 H12 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.387(3) . ?
C16 C21 1.392(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.384(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.377(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.362(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.383(3) . ?
C21 H21 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
C1 N1 C4 112.52(13) . . ?
C1 N1 C16 127.13(13) . . ?
C16 N1 C4 120.32(13) . . ?
O1 C1 N1 126.06(16) . . ?
O1 C1 C2 123.32(15) . . ?
N1 C1 C2 110.61(13) . . ?
C1 C2 C3 104.91(12) . . ?
C1 C2 C8 107.74(13) . . ?
C1 C2 C15 107.63(14) . . ?
C8 C2 C3 112.76(13) . . ?
C15 C2 C3 115.46(14) . . ?
C15 C2 C8 107.95(13) . . ?
C4 C3 C2 104.62(12) . . ?
C5 C3 C2 111.70(12) . . ?
C5 C3 C4 109.22(13) . . ?
C14 C3 C2 113.89(13) . . ?
C14 C3 C4 109.48(13) . . ?
C14 C3 C5 107.84(13) . . ?
N1 C4 C3 107.20(12) . . ?
N1 C4 H4A 110.3 . . ?
N1 C4 H4B 110.3 . . ?
C3 C4 H4A 110.3 . . ?
C3 C4 H4B 110.3 . . ?
H4A C4 H4B 108.5 . . ?
C3 C5 H5A 108.9 . . ?
C3 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 C3 113.39(13) . . ?
C6 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
C7 C6 C5 116.60(14) . . ?
C7 C6 C12 119.24(17) . . ?
C12 C6 C5 124.14(17) . . ?
C6 C7 C8 116.60(15) . . ?
C9 C7 C6 119.63(17) . . ?
C9 C7 C8 123.73(17) . . ?
C2 C8 H8A 108.9 . . ?
C2 C8 H8B 108.9 . . ?
C7 C8 C2 113.21(13) . . ?
C7 C8 H8A 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.8 . . ?
C7 C9 H9 119.2 . . ?
C10 C9 C7 121.6(2) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 C13 121.3(3) . . ?
C11 C10 C9 118.12(19) . . ?
C11 C10 C13 120.5(2) . . ?
C10 C11 H11 119.4 . . ?
C10 C11 C12 121.16(19) . . ?
C12 C11 H11 119.4 . . ?
C6 C12 H12 119.9 . . ?
C11 C12 C6 120.2(2) . . ?
C11 C12 H12 119.9 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C3 C14 H14A 109.5 . . ?
C3 C14 H14B 109.5 . . ?
C3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 C15 H15A 109.5 . . ?
C2 C15 H15B 109.5 . . ?
C2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 N1 119.01(14) . . ?
C17 C16 C21 118.83(16) . . ?
C21 C16 N1 122.16(16) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.31(19) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.32(19) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.3 . . ?
C19 C20 C21 121.4(2) . . ?
C21 C20 H20 119.3 . . ?
C16 C21 H21 120.2 . . ?
C20 C21 C16 119.6(2) . . ?
C20 C21 H21 120.2 . . ?

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
O1 C1 C2 C3 -179.05(17) . . . . ?
O1 C1 C2 C8 -58.7(2) . . . . ?
O1 C1 C2 C15 57.5(2) . . . . ?
N1 C1 C2 C3 1.86(17) . . . . ?
N1 C1 C2 C8 122.22(14) . . . . ?
N1 C1 C2 C15 -121.60(15) . . . . ?
N1 C16 C17 C18 -179.02(15) . . . . ?
N1 C16 C21 C20 179.41(15) . . . . ?
C1 N1 C4 C3 4.06(17) . . . . ?
C1 N1 C16 C17 178.36(15) . . . . ?
C1 N1 C16 C21 -2.3(2) . . . . ?
C1 C2 C3 C4 0.56(15) . . . . ?
C1 C2 C3 C5 118.60(14) . . . . ?
C1 C2 C3 C14 -118.93(14) . . . . ?
C1 C2 C8 C7 -71.15(18) . . . . ?
C2 C3 C4 N1 -2.62(15) . . . . ?
C2 C3 C5 C6 -46.56(18) . . . . ?
C3 C2 C8 C7 44.12(19) . . . . ?
C3 C5 C6 C7 47.45(19) . . . . ?
C3 C5 C6 C12 -133.75(17) . . . . ?
C4 N1 C1 O1 177.17(17) . . . . ?
C4 N1 C1 C2 -3.77(18) . . . . ?
C4 N1 C16 C17 0.5(2) . . . . ?
C4 N1 C16 C21 179.88(14) . . . . ?
C4 C3 C5 C6 68.68(17) . . . . ?
C5 C3 C4 N1 -122.33(13) . . . . ?
C5 C6 C7 C8 0.8(2) . . . . ?
C5 C6 C7 C9 178.45(14) . . . . ?
C5 C6 C12 C11 -177.39(16) . . . . ?
C6 C7 C8 C2 -47.4(2) . . . . ?
C6 C7 C9 C10 -1.1(3) . . . . ?
C7 C6 C12 C11 1.4(3) . . . . ?
C7 C9 C10 C11 1.5(3) . . . . ?
C7 C9 C10 C13 -177.63(19) . . . . ?
C8 C2 C3 C4 -116.41(14) . . . . ?
C8 C2 C3 C5 1.63(18) . . . . ?
C8 C2 C3 C14 124.10(15) . . . . ?
C8 C7 C9 C10 176.40(16) . . . . ?
C9 C7 C8 C2 135.06(17) . . . . ?
C9 C10 C11 C12 -0.5(3) . . . . ?
C10 C11 C12 C6 -0.9(3) . . . . ?
C12 C6 C7 C8 -178.06(15) . . . . ?
C12 C6 C7 C9 -0.4(2) . . . . ?
C13 C10 C11 C12 178.6(2) . . . . ?
C14 C3 C4 N1 119.80(14) . . . . ?
C14 C3 C5 C6 -172.43(13) . . . . ?
C15 C2 C3 C4 118.85(15) . . . . ?
C15 C2 C3 C5 -123.12(15) . . . . ?
C15 C2 C3 C14 -0.64(19) . . . . ?
C15 C2 C8 C7 172.88(15) . . . . ?
C16 N1 C1 O1 -0.8(3) . . . . ?
C16 N1 C1 C2 178.23(13) . . . . ?
C16 N1 C4 C3 -177.79(12) . . . . ?
C16 C17 C18 C19 -0.7(3) . . . . ?
C17 C16 C21 C20 -1.2(3) . . . . ?
C17 C18 C19 C20 -0.6(3) . . . . ?
C18 C19 C20 C21 1.0(3) . . . . ?
C19 C20 C21 C16 -0.1(3) . . . . ?
C21 C16 C17 C18 1.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
