# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2016

####################################################################### 
# 
# 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_zyf_li_1_150619
_database_code_depnum_ccdc_archive 'CCDC 1505800'
_audit_update_record             
;
2016-09-22 deposited with the CCDC.
2016-11-15 downloaded from the CCDC.
;
_audit_creation_date             2015-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H14 N2 O'
_chemical_formula_sum            'C19 H14 N2 O'
_chemical_formula_weight         286.32
_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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.7899(2)
_cell_length_b                   12.4680(3)
_cell_length_c                   11.7454(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.929(2)
_cell_angle_gamma                90.00
_cell_volume                     1431.78(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3347
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      71.4140
_cell_measurement_theta_min      5.1410
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6054
_diffrn_reflns_theta_full        71.50
_diffrn_reflns_theta_max         71.50
_diffrn_reflns_theta_min         5.18
_diffrn_ambient_temperature      103(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.2417
_diffrn_detector_type            Onyx
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -70.00   29.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -42.2034   57.0000   90.0000 99

#__ type_ start__ end____ width___ exp.time_
  2 omega   73.00  116.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       42.2034  125.0000  -30.0000 43

#__ type_ start__ end____ width___ exp.time_
  3 omega  116.00  178.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000   15.0000  150.0000 62

#__ type_ start__ end____ width___ exp.time_
  4 omega   76.00  105.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000   15.0000  150.0000 29

#__ type_ start__ end____ width___ exp.time_
  5 omega   24.00   58.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000  150.0000 34

#__ type_ start__ end____ width___ exp.time_
  6 omega   24.00   63.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000  -30.0000 39

#__ type_ start__ end____ width___ exp.time_
  7 omega   35.00   63.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000  -90.0000 28

#__ type_ start__ end____ width___ exp.time_
  8 omega   46.00   77.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -45.0000 -120.0000 31

#__ type_ start__ end____ width___ exp.time_
  9 omega  -74.00  -29.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   77.0000 -150.0000 45

#__ type_ start__ end____ width___ exp.time_
 10 omega  -65.00  -32.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   45.0000 -150.0000 33

#__ type_ start__ end____ width___ exp.time_
 11 omega  -54.00  -18.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   30.0000   30.0000 36

#__ type_ start__ end____ width___ exp.time_
 12 omega -119.00  -76.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -42.2034 -125.0000   30.0000 43

#__ type_ start__ end____ width___ exp.time_
 13 omega -160.00  -72.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000  -77.0000   90.0000 88

#__ type_ start__ end____ width___ exp.time_
 14 omega -125.00  -78.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   77.0000 -150.0000 47
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0057383000
_diffrn_orient_matrix_UB_12      -0.0994328000
_diffrn_orient_matrix_UB_13      0.0779965000
_diffrn_orient_matrix_UB_21      -0.1542023000
_diffrn_orient_matrix_UB_22      0.0110564000
_diffrn_orient_matrix_UB_23      0.0172819000
_diffrn_orient_matrix_UB_31      -0.0312943000
_diffrn_orient_matrix_UB_32      -0.0725726000
_diffrn_orient_matrix_UB_33      -0.1043168000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Nova (Cu) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2197
_reflns_number_total             2660
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2008 (Burla et al., 2007)'
_refine_diff_density_max         0.168
_refine_diff_density_min         -0.333
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2660
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0633P)²+0.0811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1118
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
O1 O 0.49161(12) 0.04398(8) 0.19343(9) 0.0275(3) Uani 1 d . . .
N0AA N 0.39251(13) 0.31113(9) 0.22881(10) 0.0209(3) Uani 1 d . . .
N1 N 0.44602(13) 0.21073(9) 0.26936(10) 0.0210(3) Uani 1 d . . .
C2 C 0.40296(15) 0.30572(11) 0.11000(12) 0.0204(3) Uani 1 d . . .
C3 C 0.38250(15) 0.38852(11) 0.03116(13) 0.0228(3) Uani 1 d . . .
H3 H 0.3599 0.4575 0.0536 0.027 Uiso 1 calc . . R
C4 C 0.46446(15) 0.13951(11) 0.18101(12) 0.0218(3) Uani 1 d . . .
C5 C 0.45125(15) 0.40422(11) 0.28675(12) 0.0207(3) Uani 1 d . . .
C6 C 0.42116(15) 0.18111(10) 0.38406(12) 0.0206(3) Uani 1 d . . .
C7 C 0.58929(16) 0.40870(11) 0.31877(13) 0.0244(3) Uani 1 d . . .
H7 H 0.6459 0.3506 0.3057 0.029 Uiso 1 calc . . R
C8 C 0.50728(18) 0.11767(13) 0.56610(14) 0.0296(4) Uani 1 d . . .
H8 H 0.5805 0.0967 0.6146 0.036 Uiso 1 calc . . R
C9 C 0.37544(17) 0.11504(11) 0.60379(13) 0.0258(3) Uani 1 d . . .
H9 H 0.3597 0.0913 0.6770 0.031 Uiso 1 calc . . R
C10 C 0.36499(17) 0.48958(11) 0.30610(13) 0.0254(3) Uani 1 d . . .
H10 H 0.2722 0.4853 0.2854 0.031 Uiso 1 calc . . R
C11 C 0.43093(17) 0.25892(12) -0.11669(13) 0.0267(3) Uani 1 d . . .
H11 H 0.4380 0.2443 -0.1938 0.032 Uiso 1 calc . . R
C12 C 0.44101(15) 0.20343(11) 0.07732(12) 0.0218(3) Uani 1 d . . .
C13 C 0.53035(17) 0.15145(12) 0.45623(13) 0.0272(3) Uani 1 d . . .
H13 H 0.6189 0.1541 0.4313 0.033 Uiso 1 calc . . R
C14 C 0.64222(18) 0.50093(12) 0.37066(13) 0.0282(4) Uani 1 d . . .
H14 H 0.7346 0.5046 0.3930 0.034 Uiso 1 calc . . R
C15 C 0.39751(16) 0.36296(12) -0.08214(13) 0.0254(3) Uani 1 d . . .
H15 H 0.3851 0.4163 -0.1370 0.030 Uiso 1 calc . . R
C16 C 0.55728(18) 0.58752(12) 0.38919(13) 0.0287(4) Uani 1 d . . .
H16 H 0.5930 0.6495 0.4233 0.034 Uiso 1 calc . . R
C17 C 0.45354(16) 0.17773(12) -0.03755(13) 0.0249(3) Uani 1 d . . .
H17 H 0.4762 0.1087 -0.0599 0.030 Uiso 1 calc . . R
C18 C 0.41963(18) 0.58195(12) 0.35712(13) 0.0295(4) Uani 1 d . . .
H18 H 0.3632 0.6403 0.3697 0.035 Uiso 1 calc . . R
C19 C 0.28929(16) 0.18091(11) 0.42135(13) 0.0250(3) Uani 1 d . . .
H19 H 0.2163 0.2026 0.3730 0.030 Uiso 1 calc . . R
C20 C 0.26729(17) 0.14806(12) 0.53151(13) 0.0265(3) Uani 1 d . . .
H20 H 0.1790 0.1482 0.5573 0.032 Uiso 1 calc . . R


_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 C4 1.2274(18) . ?
N0AA N1 1.4293(16) . ?
N0AA C2 1.4060(19) . ?
N0AA C5 1.4494(18) . ?
N1 C4 1.3846(18) . ?
N1 C6 1.4298(19) . ?
C2 C3 1.395(2) . ?
C2 C12 1.388(2) . ?
C3 H3 0.9300 . ?
C3 C15 1.383(2) . ?
C4 C12 1.464(2) . ?
C5 C7 1.385(2) . ?
C5 C10 1.385(2) . ?
C6 C13 1.380(2) . ?
C6 C19 1.384(2) . ?
C7 H7 0.9300 . ?
C7 C14 1.389(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.386(2) . ?
C8 C13 1.387(2) . ?
C9 H9 0.9300 . ?
C9 C20 1.385(2) . ?
C10 H10 0.9300 . ?
C10 C18 1.392(2) . ?
C11 H11 0.9300 . ?
C11 C15 1.403(2) . ?
C11 C17 1.385(2) . ?
C12 C17 1.398(2) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C16 1.387(2) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C18 1.382(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.384(2) . ?
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
N1 N0AA C5 114.52(11) . . ?
C2 N0AA N1 104.16(11) . . ?
C2 N0AA C5 117.21(11) . . ?
N0AA N1 C6 117.58(11) . . ?
C4 N1 N0AA 111.82(11) . . ?
C4 N1 C6 125.13(11) . . ?
C3 C2 N0AA 127.46(13) . . ?
C12 C2 N0AA 110.66(12) . . ?
C12 C2 C3 121.87(13) . . ?
C2 C3 H3 121.6 . . ?
C15 C3 C2 116.71(13) . . ?
C15 C3 H3 121.6 . . ?
O1 C4 N1 124.69(14) . . ?
O1 C4 C12 130.62(14) . . ?
N1 C4 C12 104.68(11) . . ?
C7 C5 N0AA 121.19(12) . . ?
C10 C5 N0AA 117.51(13) . . ?
C10 C5 C7 121.27(13) . . ?
C13 C6 N1 118.95(13) . . ?
C13 C6 C19 120.71(14) . . ?
C19 C6 N1 120.33(13) . . ?
C5 C7 H7 120.4 . . ?
C5 C7 C14 119.30(14) . . ?
C14 C7 H7 120.4 . . ?
C9 C8 H8 119.9 . . ?
C9 C8 C13 120.19(15) . . ?
C13 C8 H8 119.9 . . ?
C8 C9 H9 120.3 . . ?
C20 C9 C8 119.49(14) . . ?
C20 C9 H9 120.3 . . ?
C5 C10 H10 120.6 . . ?
C5 C10 C18 118.84(15) . . ?
C18 C10 H10 120.6 . . ?
C15 C11 H11 119.6 . . ?
C17 C11 H11 119.6 . . ?
C17 C11 C15 120.90(14) . . ?
C2 C12 C4 107.64(12) . . ?
C2 C12 C17 121.02(13) . . ?
C17 C12 C4 131.33(13) . . ?
C6 C13 C8 119.66(15) . . ?
C6 C13 H13 120.2 . . ?
C8 C13 H13 120.2 . . ?
C7 C14 H14 120.0 . . ?
C16 C14 C7 120.01(15) . . ?
C16 C14 H14 120.0 . . ?
C3 C15 C11 121.94(14) . . ?
C3 C15 H15 119.0 . . ?
C11 C15 H15 119.0 . . ?
C14 C16 H16 119.9 . . ?
C18 C16 C14 120.14(14) . . ?
C18 C16 H16 119.9 . . ?
C11 C17 C12 117.48(14) . . ?
C11 C17 H17 121.3 . . ?
C12 C17 H17 121.3 . . ?
C10 C18 H18 119.8 . . ?
C16 C18 C10 120.43(14) . . ?
C16 C18 H18 119.8 . . ?
C6 C19 H19 120.4 . . ?
C6 C19 C20 119.23(14) . . ?
C20 C19 H19 120.4 . . ?
C9 C20 H20 119.7 . . ?
C19 C20 C9 120.67(15) . . ?
C19 C20 H20 119.7 . . ?

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
O1 C4 C12 C2 175.22(16) . . . . ?
O1 C4 C12 C17 -6.2(3) . . . . ?
N0AA N1 C4 O1 -169.86(14) . . . . ?
N0AA N1 C4 C12 8.78(15) . . . . ?
N0AA N1 C6 C13 -127.70(14) . . . . ?
N0AA N1 C6 C19 53.16(17) . . . . ?
N0AA C2 C3 C15 -179.38(14) . . . . ?
N0AA C2 C12 C4 -3.33(17) . . . . ?
N0AA C2 C12 C17 177.88(13) . . . . ?
N0AA C5 C7 C14 177.83(13) . . . . ?
N0AA C5 C10 C18 -177.24(13) . . . . ?
N1 N0AA C2 C3 -170.33(14) . . . . ?
N1 N0AA C2 C12 8.34(15) . . . . ?
N1 N0AA C5 C7 38.87(18) . . . . ?
N1 N0AA C5 C10 -142.84(13) . . . . ?
N1 C4 C12 C2 -3.30(16) . . . . ?
N1 C4 C12 C17 175.31(15) . . . . ?
N1 C6 C13 C8 -176.99(13) . . . . ?
N1 C6 C19 C20 177.60(13) . . . . ?
C2 N0AA N1 C4 -10.74(15) . . . . ?
C2 N0AA N1 C6 -166.05(12) . . . . ?
C2 N0AA C5 C7 -83.60(16) . . . . ?
C2 N0AA C5 C10 94.70(16) . . . . ?
C2 C3 C15 C11 0.3(2) . . . . ?
C2 C12 C17 C11 2.0(2) . . . . ?
C3 C2 C12 C4 175.43(13) . . . . ?
C3 C2 C12 C17 -3.4(2) . . . . ?
C4 N1 C6 C13 80.61(18) . . . . ?
C4 N1 C6 C19 -98.53(17) . . . . ?
C4 C12 C17 C11 -176.42(15) . . . . ?
C5 N0AA N1 C4 -140.04(13) . . . . ?
C5 N0AA N1 C6 64.66(16) . . . . ?
C5 N0AA C2 C3 -42.7(2) . . . . ?
C5 N0AA C2 C12 135.99(13) . . . . ?
C5 C7 C14 C16 -0.4(2) . . . . ?
C5 C10 C18 C16 -0.9(2) . . . . ?
C6 N1 C4 O1 -16.8(2) . . . . ?
C6 N1 C4 C12 161.86(13) . . . . ?
C6 C19 C20 C9 -0.4(2) . . . . ?
C7 C5 C10 C18 1.1(2) . . . . ?
C7 C14 C16 C18 0.6(2) . . . . ?
C8 C9 C20 C19 1.7(2) . . . . ?
C9 C8 C13 C6 -0.8(2) . . . . ?
C10 C5 C7 C14 -0.4(2) . . . . ?
C12 C2 C3 C15 2.1(2) . . . . ?
C13 C6 C19 C20 -1.5(2) . . . . ?
C13 C8 C9 C20 -1.1(2) . . . . ?
C14 C16 C18 C10 0.0(2) . . . . ?
C15 C11 C17 C12 0.4(2) . . . . ?
C17 C11 C15 C3 -1.6(2) . . . . ?
C19 C6 C13 C8 2.1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
