# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_gqq-852
_database_code_depnum_ccdc_archive 'CCDC 1883060'
_audit_update_record             
;
2018-12-04 deposited with the CCDC.	2019-09-05 downloaded from the CCDC.
;
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_Int_Tables_number      33
_space_group_name_Hall           'P 2c -2n'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,z
_cell_length_a                   12.7337(2)
_cell_length_b                   14.4626(2)
_cell_length_c                   13.1758(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2426.49
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N2 N 0.82095(17) 0.45407(14) 0.70755(16)
N1 N 0.83920(19) 0.38244(15) 0.77172(16)
C1 C 0.76067(17) 0.42717(15) 0.62691(17)
C3 C 0.7933(2) 0.30961(17) 0.73150(18)
H3 H 0.795434 0.250546 0.759340
C2 C 0.74009(18) 0.33267(15) 0.64008(17)
C4 C 0.67518(17) 0.28450(14) 0.57147(16)
C5 C 0.62899(16) 0.33427(15) 0.49280(16)
C6 C 0.65262(16) 0.43036(14) 0.47947(16)
C7 C 0.72144(18) 0.47722(15) 0.54314(17)
C13 C 0.68946(16) 0.64889(13) 0.53572(18)
H13 H 0.621288 0.639461 0.558840
C8 C 0.75627(14) 0.57395(9) 0.52184(15)
C10 C 0.85816(14) 0.58805(14) 0.48729(18)
H10 H 0.902859 0.537905 0.478000
C9 C 0.89324(18) 0.67709(18) 0.4666(2)
H9 H 0.961406 0.686524 0.443509
C11 C 0.8264(3) 0.75204(12) 0.4805(2)
H11 H 0.849895 0.811613 0.466683
C12 C 0.7245(2) 0.73794(10) 0.5151(2)
H12 H 0.679836 0.788083 0.524348
C14 C 0.60196(18) 0.48168(14) 0.39341(17)
C15 C 0.6595(2) 0.50890(18) 0.3100(2)
H15 H 0.731154 0.496785 0.307698
C16 C 0.6119(3) 0.5541(2) 0.2296(2)
H16 H 0.651446 0.571809 0.173518
C17 C 0.5063(3) 0.5726(2) 0.2326(3)
H17 H 0.474120 0.602737 0.178509
C18 C 0.4477(2) 0.5466(2) 0.3161(3)
H18 H 0.376261 0.559617 0.318396
C19 C 0.4950(2) 0.5013(2) 0.3963(2)
H19 H 0.455229 0.483811 0.452304
C20 C 0.55429(18) 0.28822(14) 0.42179(17)
C21 C 0.5734(2) 0.28457(16) 0.31772(18)
H21 H 0.635583 0.308554 0.291771
C22 C 0.5002(2) 0.2454(2) 0.2524(2)
H22 H 0.513222 0.244180 0.183015
C23 C 0.4087(2) 0.2084(2) 0.2897(3)
H23 H 0.359469 0.182869 0.245684
C24 C 0.3903(2) 0.2093(2) 0.3925(3)
H24 H 0.329350 0.182599 0.418205
C25 C 0.46196(19) 0.24963(18) 0.4581(2)
H25 H 0.447946 0.250866 0.527321
C26 C 0.65802(19) 0.18321(15) 0.58492(17)
C27 C 0.6870(2) 0.12152(16) 0.5098(2)
H27 H 0.718984 0.143238 0.450942
C28 C 0.6688(3) 0.02765(19) 0.5213(3)
H28 H 0.688326 -0.013461 0.470440
C29 C 0.6214(3) -0.00470(19) 0.6093(3)
H29 H 0.608035 -0.067536 0.616822
C30 C 0.5944(2) 0.0556(2) 0.6848(2)
H30 H 0.563659 0.033462 0.744082
C31 C 0.6125(2) 0.14961(19) 0.6733(2)
H31 H 0.594191 0.190279 0.725023
C32 C 0.8492(3) 0.54659(19) 0.7394(2)
H32A H 0.786659 0.581772 0.752011
H32B H 0.889559 0.575977 0.687001
H32C H 0.890285 0.543342 0.800460

#END
