# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_F1_a
_audit_block_doi                 10.5517/ccdc.csd.cc2cx9g2
_database_code_depnum_ccdc_archive 'CCDC 2201944'
loop_
_audit_author_name
_audit_author_address
'Nandkishor Khot'
;Indian Institute of Science Education and Research Bhopal
India
;
_audit_update_record             
;
2022-08-17 deposited with the CCDC.	2023-04-24 downloaded from the CCDC.
;
_audit_creation_date             2022-08-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_chemical_formula_moiety         'C25 H24 N2 O4'
_chemical_formula_sum            'C25 H24 N2 O4'
_chemical_formula_weight         416.46
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   8.8175(6)
_cell_length_b                   10.9007(8)
_cell_length_c                   11.0914(9)
_cell_angle_alpha                91.044(3)
_cell_angle_beta                 101.160(2)
_cell_angle_gamma                98.536(2)
_cell_volume                     1033.11(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4865
_cell_measurement_temperature    140.00
_cell_measurement_theta_max      29.62
_cell_measurement_theta_min      2.72
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear grayish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   grayish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_description       irregular
_exptl_crystal_F_000             462.453
_exptl_crystal_size_max          1
_exptl_crystal_size_mid          0.8
_exptl_crystal_size_min          0.6
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_Laue_measured_fraction_full 0.9890
_diffrn_reflns_Laue_measured_fraction_max 0.9922
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            35615
_diffrn_reflns_point_group_measured_fraction_full 0.9890
_diffrn_reflns_point_group_measured_fraction_max 0.9922
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         29.60
_diffrn_reflns_theta_min         1.87
_diffrn_ambient_temperature      140.00
_diffrn_measured_fraction_theta_full 0.9890
_diffrn_measured_fraction_theta_max 0.9922
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              15
_reflns_limit_l_min              0
_reflns_number_gt                4318
_reflns_number_total             5759
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.4798
_refine_diff_density_min         -0.3114
_refine_diff_density_rms         0.0712
_refine_ls_d_res_high            0.7194
_refine_ls_d_res_low             10.8689
_refine_ls_goodness_of_fit_ref   1.0419
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    36
_refine_ls_number_parameters     294
_refine_ls_number_reflns         5759
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      1.0419
_refine_ls_shift/su_max          -0.0004
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0607P)²+0.4122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1475
_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, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00H(H00b,H00c), C00N(H00d,H00e), C00O(H00g,H00h), C00V(H00t,H00v)
2.b Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00F(H00F), C00K(H00K), C00L(H00L), C00M(H00M), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00U(H00U)
2.c Idealised Me refined as rotating group:
 C00S(H00i,H00j,H00n)
2.d Idealised tetrahedral OH refined as rotating group:
 O003(H003)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
O001 O 0.13196(12) 0.05954(10) 0.26957(10) 0.0247(2) Uani 1.000000 .
O002 O 0.38619(14) 0.50182(10) 0.19900(11) 0.0303(3) Uani 1.000000 .
O003 O -0.12433(13) 0.14493(12) -0.10408(11) 0.0322(3) Uani 1.000000 .
H003 H -0.1402(6) 0.0808(12) -0.1508(16) 0.0483(4) Uiso 1.000000 GR
O004 O 0.13586(15) 0.52920(11) 0.14363(12) 0.0353(3) Uani 1.000000 .
N005 N 0.23252(14) 0.25140(12) 0.35949(11) 0.0199(3) Uani 1.000000 .
N006 N 0.29276(15) 0.46363(12) 0.49344(12) 0.0247(3) Uani 1.000000 .
C007 C 0.22685(16) 0.15546(13) 0.27870(13) 0.0191(3) Uani 1.000000 .
C008 C 0.46719(16) 0.09757(13) 0.21869(13) 0.0187(3) Uani 1.000000 .
C009 C 0.35002(16) 0.17367(13) 0.20110(13) 0.0184(3) Uani 1.000000 .
C00A C 0.02613(17) 0.17079(14) 0.47265(14) 0.0216(3) Uani 1.000000 .
H00A H 0.00017(17) 0.09477(14) 0.42470(14) 0.0260(4) Uiso 1.000000 R
C00B C 0.14058(16) 0.26172(13) 0.44877(13) 0.0186(3) Uani 1.000000 .
C00C C 0.17761(16) 0.37632(14) 0.52067(13) 0.0200(3) Uani 1.000000 .
C00D C 0.58197(16) 0.11424(14) 0.14665(13) 0.0209(3) Uani 1.000000 .
C00E C 0.23670(18) 0.46517(14) 0.14525(14) 0.0239(3) Uani 1.000000 .
C00F C 0.57574(18) 0.20447(15) 0.05907(14) 0.0247(3) Uani 1.000000 .
H00F H 0.65367(18) 0.21590(15) 0.01022(14) 0.0296(4) Uiso 1.000000 R
C00G C 0.34350(16) 0.26281(13) 0.11246(13) 0.0206(3) Uani 1.000000 .
C00H C 0.46871(17) -0.00014(14) 0.31405(14) 0.0237(3) Uani 1.000000 .
H00b H 0.43574(17) 0.03275(14) 0.38705(14) 0.0285(4) Uiso 1.000000 R
H00c H 0.39195(17) -0.07412(14) 0.27976(14) 0.0285(4) Uiso 1.000000 R
C00I C 0.21128(18) 0.33682(14) 0.08985(14) 0.0223(3) Uani 1.000000 .
C00J C 0.09694(17) 0.39449(14) 0.61639(14) 0.0228(3) Uani 1.000000 .
C00K C -0.05283(18) 0.19092(14) 0.56897(14) 0.0241(3) Uani 1.000000 .
H00K H -0.13146(18) 0.12734(14) 0.58505(14) 0.0290(4) Uiso 1.000000 R
C00L C 0.07209(18) 0.29257(15) 0.02035(14) 0.0251(3) Uani 1.000000 .
H00L H -0.00737(18) 0.34368(15) 0.01183(14) 0.0301(4) Uiso 1.000000 R
C00M C 0.45884(18) 0.27762(15) 0.04173(14) 0.0246(3) Uani 1.000000 .
H00M H 0.45711(18) 0.33832(15) -0.01871(14) 0.0295(4) Uiso 1.000000 R
C00N C 0.6938(2) -0.07142(16) 0.24207(15) 0.0307(4) Uani 1.000000 .
H00d H 0.7955(2) -0.10053(16) 0.26935(15) 0.0368(4) Uiso 1.000000 R
H00e H 0.6209(2) -0.13983(16) 0.19216(15) 0.0368(4) Uiso 1.000000 R
C00O C 0.62908(18) -0.03884(16) 0.35380(15) 0.0282(3) Uani 1.000000 .
H00g H 0.70143(18) 0.02992(16) 0.40357(15) 0.0338(4) Uiso 1.000000 R
H00h H 0.62065(18) -0.11164(16) 0.40553(15) 0.0338(4) Uiso 1.000000 R
C00P C -0.01942(18) 0.29879(15) 0.63933(14) 0.0254(3) Uani 1.000000 .
H00P H -0.07410(18) 0.30972(15) 0.70364(14) 0.0305(4) Uiso 1.000000 R
C00Q C 0.3281(2) 0.56813(16) 0.56105(16) 0.0300(3) Uani 1.000000 .
H00Q H 0.4084(2) 0.62921(16) 0.54316(16) 0.0360(4) Uiso 1.000000 R
C00R C 0.1400(2) 0.50891(16) 0.68558(16) 0.0308(4) Uani 1.000000 .
H00R H 0.0890(2) 0.52531(16) 0.75082(16) 0.0370(4) Uiso 1.000000 R
C00S C 0.4207(2) 0.62526(16) 0.25503(17) 0.0352(4) Uani 1.000000 .
H00i H 0.3802(14) 0.6836(2) 0.1954(4) 0.0527(6) Uiso 1.000000 GR
H00j H 0.3711(13) 0.6277(3) 0.3267(8) 0.0527(6) Uiso 1.000000 GR
H00n H 0.5342(2) 0.6487(5) 0.2812(11) 0.0527(6) Uiso 1.000000 GR
C00T C 0.0338(2) 0.16796(17) -0.04465(19) 0.0350(4) Uani 1.000000 .
C00U C 0.2548(2) 0.59538(16) 0.65823(17) 0.0338(4) Uani 1.000000 .
H00U H 0.2849(2) 0.67268(16) 0.70384(17) 0.0405(5) Uiso 1.000000 R
C00V C 0.71579(18) 0.04042(16) 0.16362(15) 0.0286(3) Uani 1.000000 .
H00t H 0.72895(18) 0.01142(16) 0.08171(15) 0.0344(4) Uiso 1.000000 R
H00v H 0.81320(18) 0.09577(16) 0.20232(15) 0.0344(4) Uiso 1.000000 R
H005 H 0.302(2) 0.3153(18) 0.3588(17) 0.027(5) Uiso 1.000000 .
H00o H 0.061(3) 0.103(2) 0.013(2) 0.056(7) Uiso 1.000000 .
H00s H 0.096(3) 0.164(3) -0.107(3) 0.082(9) Uiso 1.000000 .


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
O001 C007 1.2277(18) . ?
O002 C00E 1.3354(19) . ?
O002 C00S 1.437(2) . ?
O003 H003 0.8400 . ?
O003 C00T 1.405(2) . ?
O004 C00E 1.2069(19) . ?
N005 C007 1.3535(18) . ?
N005 C00B 1.4086(17) . ?
N005 H005 0.86(2) . ?
N006 C00C 1.3676(19) . ?
N006 C00Q 1.315(2) . ?
C007 C009 1.5046(19) . ?
C008 C009 1.4057(19) . ?
C008 C00D 1.3999(19) . ?
C008 C00H 1.514(2) . ?
C009 C00G 1.394(2) . ?
C00A H00A 0.9500 . ?
C00A C00B 1.374(2) . ?
C00A C00K 1.414(2) . ?
C00B C00C 1.430(2) . ?
C00C C00J 1.414(2) . ?
C00D C00F 1.394(2) . ?
C00D C00V 1.5089(19) . ?
C00E C00I 1.486(2) . ?
C00F H00F 0.9500 . ?
C00F C00M 1.381(2) . ?
C00G C00I 1.4988(19) . ?
C00G C00M 1.393(2) . ?
C00H H00b 0.9900 . ?
C00H H00c 0.9900 . ?
C00H C00O 1.521(2) . ?
C00I C00L 1.333(2) . ?
C00J C00P 1.414(2) . ?
C00J C00R 1.414(2) . ?
C00K H00K 0.9500 . ?
C00K C00P 1.361(2) . ?
C00L H00L 0.9500 . ?
C00L C00T 1.487(2) . ?
C00M H00M 0.9500 . ?
C00N H00d 0.9900 . ?
C00N H00e 0.9900 . ?
C00N C00O 1.518(2) . ?
C00N C00V 1.521(2) . ?
C00O H00g 0.9900 . ?
C00O H00h 0.9900 . ?
C00P H00P 0.9500 . ?
C00Q H00Q 0.9500 . ?
C00Q C00U 1.408(2) . ?
C00R H00R 0.9500 . ?
C00R C00U 1.361(2) . ?
C00S H00i 0.9800 . ?
C00S H00j 0.9800 . ?
C00S H00n 0.9800 . ?
C00T H00o 0.99(3) . ?
C00T H00s 0.97(3) . ?
C00U H00U 0.9500 . ?
C00V H00t 0.9900 . ?
C00V H00v 0.9900 . ?

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
C00S O002 C00E 115.13(13) . . ?
C00T O003 H003 109.5 . . ?
C00B N005 C007 128.99(13) . . ?
H005 N005 C007 117.4(13) . . ?
H005 N005 C00B 113.6(13) . . ?
C00Q N006 C00C 117.22(13) . . ?
N005 C007 O001 123.76(13) . . ?
C009 C007 O001 121.68(13) . . ?
C009 C007 N005 114.55(12) . . ?
C00D C008 C009 118.69(13) . . ?
C00H C008 C009 120.38(12) . . ?
C00H C008 C00D 120.93(12) . . ?
C008 C009 C007 118.53(12) . . ?
C00G C009 C007 119.65(12) . . ?
C00G C009 C008 121.81(13) . . ?
C00B C00A H00A 120.17(8) . . ?
C00K C00A H00A 120.17(9) . . ?
C00K C00A C00B 119.66(13) . . ?
C00A C00B N005 125.32(13) . . ?
C00C C00B N005 114.92(12) . . ?
C00C C00B C00A 119.72(13) . . ?
C00B C00C N006 117.42(12) . . ?
C00J C00C N006 122.93(14) . . ?
C00J C00C C00B 119.64(13) . . ?
C00F C00D C008 119.20(13) . . ?
C00V C00D C008 122.02(13) . . ?
C00V C00D C00F 118.74(13) . . ?
O004 C00E O002 123.43(15) . . ?
C00I C00E O002 111.63(12) . . ?
C00I C00E O004 124.93(15) . . ?
H00F C00F C00D 119.25(8) . . ?
C00M C00F C00D 121.50(14) . . ?
C00M C00F H00F 119.25(9) . . ?
C00I C00G C009 120.69(13) . . ?
C00M C00G C009 118.48(13) . . ?
C00M C00G C00I 120.77(13) . . ?
H00b C00H C008 109.08(8) . . ?
H00c C00H C008 109.08(8) . . ?
H00c C00H H00b 107.8 . . ?
C00O C00H C008 112.59(13) . . ?
C00O C00H H00b 109.08(8) . . ?
C00O C00H H00c 109.08(9) . . ?
C00G C00I C00E 118.88(13) . . ?
C00L C00I C00E 118.60(13) . . ?
C00L C00I C00G 122.51(14) . . ?
C00P C00J C00C 119.31(14) . . ?
C00R C00J C00C 117.17(14) . . ?
C00R C00J C00P 123.52(14) . . ?
H00K C00K C00A 119.05(9) . . ?
C00P C00K C00A 121.89(14) . . ?
C00P C00K H00K 119.05(9) . . ?
H00L C00L C00I 118.03(9) . . ?
C00T C00L C00I 123.93(14) . . ?
C00T C00L H00L 118.03(9) . . ?
C00G C00M C00F 120.31(14) . . ?
H00M C00M C00F 119.85(9) . . ?
H00M C00M C00G 119.85(9) . . ?
H00e C00N H00d 108.0 . . ?
C00O C00N H00d 109.44(8) . . ?
C00O C00N H00e 109.44(10) . . ?
C00V C00N H00d 109.44(8) . . ?
C00V C00N H00e 109.44(9) . . ?
C00V C00N C00O 110.99(13) . . ?
C00N C00O C00H 110.38(13) . . ?
H00g C00O C00H 109.58(9) . . ?
H00g C00O C00N 109.58(10) . . ?
H00h C00O C00H 109.58(9) . . ?
H00h C00O C00N 109.58(9) . . ?
H00h C00O H00g 108.1 . . ?
C00K C00P C00J 119.78(14) . . ?
H00P C00P C00J 120.11(8) . . ?
H00P C00P C00K 120.11(9) . . ?
H00Q C00Q N006 117.87(9) . . ?
C00U C00Q N006 124.26(16) . . ?
C00U C00Q H00Q 117.87(10) . . ?
H00R C00R C00J 120.17(9) . . ?
C00U C00R C00J 119.66(15) . . ?
C00U C00R H00R 120.17(10) . . ?
H00i C00S O002 109.5 . . ?
H00j C00S O002 109.5 . . ?
H00j C00S H00i 109.5 . . ?
H00n C00S O002 109.5 . . ?
H00n C00S H00i 109.5 . . ?
H00n C00S H00j 109.5 . . ?
C00L C00T O003 110.63(13) . . ?
H00o C00T O003 111.7(14) . . ?
H00o C00T C00L 110.7(14) . . ?
H00s C00T O003 107.7(17) . . ?
H00s C00T C00L 110.1(18) . . ?
H00s C00T H00o 106(2) . . ?
C00R C00U C00Q 118.76(15) . . ?
H00U C00U C00Q 120.62(10) . . ?
H00U C00U C00R 120.62(10) . . ?
C00N C00V C00D 113.94(13) . . ?
H00t C00V C00D 108.77(8) . . ?
H00t C00V C00N 108.77(9) . . ?
H00v C00V C00D 108.77(9) . . ?
H00v C00V C00N 108.77(9) . . ?
H00v C00V H00t 107.7 . . ?

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
O001 C007 N005 C00B 2.10(18) . . . . ?
O001 C007 C009 C008 -65.87(15) . . . . ?
O001 C007 C009 C00G 112.74(14) . . . . ?
O002 C00E C00I C00G 6.88(15) . . . . ?
O002 C00E C00I C00L -172.16(13) . . . . ?
O003 C00T C00L C00I 176.40(14) . . . . ?
O004 C00E C00I C00G -172.52(15) . . . . ?
O004 C00E C00I C00L 8.44(19) . . . . ?
N005 C007 C009 C008 112.79(13) . . . . ?
N005 C007 C009 C00G -68.60(14) . . . . ?
N005 C00B C00A C00K 177.04(14) . . . . ?
N005 C00B C00C N006 1.88(14) . . . . ?
N005 C00B C00C C00J -177.38(12) . . . . ?
N006 C00C C00B C00A 179.81(13) . . . . ?
N006 C00C C00J C00P -179.29(14) . . . . ?
N006 C00C C00J C00R -0.10(16) . . . . ?
N006 C00Q C00U C00R 0.2(2) . . . . ?
C007 C009 C008 C00D 179.99(13) . . . . ?
C007 C009 C008 C00H -0.13(15) . . . . ?
C007 C009 C00G C00I -2.68(16) . . . . ?
C007 C009 C00G C00M -179.90(14) . . . . ?
C008 C009 C00G C00I 175.88(13) . . . . ?
C008 C009 C00G C00M -1.33(16) . . . . ?
C008 C00D C00F C00M -0.07(17) . . . . ?
C008 C00D C00V C00N 13.61(16) . . . . ?
C008 C00H C00O C00N -50.26(14) . . . . ?
C009 C00G C00I C00E 100.16(15) . . . . ?
C009 C00G C00I C00L -80.85(16) . . . . ?
C009 C00G C00M C00F 0.53(17) . . . . ?
C00A C00B C00C C00J 0.55(16) . . . . ?
C00A C00K C00P C00J 0.19(18) . . . . ?
C00B C00C C00J C00P -0.07(16) . . . . ?
C00B C00C C00J C00R 179.11(14) . . . . ?
C00C C00J C00P C00K -0.29(17) . . . . ?
C00C C00J C00R C00U -0.00(17) . . . . ?
C00D C00F C00M C00G 0.16(18) . . . . ?
C00D C00V C00N C00O -42.80(15) . . . . ?
C00E C00I C00G C00M -82.69(15) . . . . ?
C00E C00I C00L C00T 177.25(15) . . . . ?
C00F C00M C00G C00I -176.68(14) . . . . ?
C00G C00I C00L C00T -1.75(19) . . . . ?
C00H C00O C00N C00V 62.01(15) . . . . ?
C00J C00R C00U C00Q -0.06(19) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
