# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_gff_sqd
_database_code_depnum_ccdc_archive 'CCDC 1869741'
loop_
_audit_author_name
_audit_author_address
4CzDPDPO2A
;Heilongjiang University
China
;
_audit_update_record             
;
2018-09-25 deposited with the CCDC.	2019-04-25 downloaded from the CCDC.
;
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_creation_date             18-05-14
_chemical_formula_sum            'C72 H46 N4 O2 P2'
_chemical_formula_weight         1061.070
_refine_ls_R_factor_all          0.142
_cell_length_a                   13.991(5)
_cell_length_b                   17.180(5)
_cell_length_c                   17.219(5)
_cell_angle_alpha                117.591(5)
_cell_angle_beta                 103.404(5)
_cell_angle_gamma                92.633(5)
_cell_volume                     3511.4(19)
_cell_formula_units_Z            2
_symmetry_int_tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  -P_1

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-x, -y, -z'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
P ? 1.200
O ? 1.200
N ? 1.200
C ? 1.200
H ? 1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
P1 P 0.8372(1) 0.4830(1) 0.2970(1) 1.000 2 i ? d Uani 0.0459(4)
P2 P 0.8612(1) 0.6060(1) 0.1917(1) 1.000 2 i ? d Uani 0.0494(4)
O3 O 0.7805(3) 0.4391(2) 0.3335(2) 1.000 2 i ? d Uani 0.0604(10)
O4 O 0.8296(3) 0.6562(2) 0.1437(2) 1.000 2 i ? d Uani 0.0661(10)
N5 N 0.6438(3) 0.3387(3) -0.1062(3) 1.000 2 i ? d Uani 0.0601(12)
N6 N 0.8078(3) 0.7766(3) 0.5692(3) 1.000 2 i ? d Uani 0.0537(11)
N7 N 0.6252(3) 0.2325(3) -0.0168(3) 1.000 2 i ? d Uani 0.0557(11)
C8 C 0.6929(4) 0.3707(4) -0.0117(3) 1.000 2 i ? d Uani 0.0542(13)
C9 C 0.8193(4) 0.7357(3) 0.4806(3) 1.000 2 i ? d Uani 0.0481(12)
N11 N 0.8305(3) 0.8768(3) 0.4772(3) 1.000 2 i ? d Uani 0.0543(11)
C13 C 0.8270(3) 0.7852(3) 0.4358(3) 1.000 2 i ? d Uani 0.0471(12)
C14 C 0.6832(4) 0.3194(3) 0.0304(3) 1.000 2 i ? d Uani 0.0484(12)
C15 C 0.8224(3) 0.6442(3) 0.4360(3) 1.000 2 i ? d Uani 0.0457(12)
H15 H 0.8167 0.6117 0.4660 1.000 2 i ? calc Uiso 0.05500
C16 C 0.8338(3) 0.6001(3) 0.3480(3) 1.000 2 i ? d Uani 0.0440(12)
C17 C 0.8422(3) 0.6517(3) 0.3031(3) 1.000 2 i ? d Uani 0.0473(12)
C18 C 0.8783(4) 0.7808(3) 0.6467(4) 1.000 2 i ? d Uani 0.0576(14)
C19 C 0.9090(4) 0.9396(3) 0.5525(4) 1.000 2 i ? d Uani 0.0529(13)
C20 C 0.7955(4) 0.4935(3) 0.1315(3) 1.000 2 i ? d Uani 0.0486(12)
C21 C 0.7361(4) 0.8261(3) 0.5976(3) 1.000 2 i ? d Uani 0.0499(13)
C23 C 0.9662(4) 0.4726(3) 0.3171(3) 1.000 2 i ? d Uani 0.0508(13)
C24 C 0.7699(4) 0.9217(4) 0.4398(4) 1.000 2 i ? d Uani 0.0604(14)
C25 C 0.7462(3) 0.4566(3) 0.0394(3) 1.000 2 i ? d Uani 0.0479(12)
H25 H 0.7491 0.4910 0.0109 1.000 2 i ? calc Uiso 0.05700
C26 C 0.5204(4) 0.2107(4) -0.0578(3) 1.000 2 i ? d Uani 0.0571(14)
C27 C 0.5786(4) 0.3818(4) -0.1413(3) 1.000 2 i ? d Uani 0.0592(14)
C28 C 0.7858(4) 0.4422(3) 0.1761(3) 1.000 2 i ? d Uani 0.0460(12)
C29 C 0.8346(4) 0.7397(3) 0.3452(3) 1.000 2 i ? d Uani 0.0546(13)
H29 H 0.8342 0.7711 0.3133 1.000 2 i ? calc Uiso 0.06600
C30 C 0.7536(4) 0.8598(4) 0.6924(4) 1.000 2 i ? d Uani 0.0606(14)
C31 C 0.7303(4) 0.3559(3) 0.1239(3) 1.000 2 i ? d Uani 0.0500(13)
H31 H 0.7245 0.3217 0.1521 1.000 2 i ? calc Uiso 0.06000
C32 C 0.5743(4) 0.0887(4) -0.0537(3) 1.000 2 i ? d Uani 0.0579(14)
C33 C 0.8065(5) 1.0136(4) 0.4950(4) 1.000 2 i ? d Uani 0.0669(16)
C34 C 0.9914(4) 0.6017(4) 0.2091(4) 1.000 2 i ? d Uani 0.0571(14)
C35 C 0.8438(4) 0.8298(4) 0.7234(3) 1.000 2 i ? d Uani 0.0644(15)
C36 C 0.4891(5) 0.1225(4) -0.0806(3) 1.000 2 i ? d Uani 0.0654(15)
C37 C 0.8931(5) 1.0262(4) 0.5661(4) 1.000 2 i ? d Uani 0.0642(15)
C38 C 0.6539(5) 0.1573(4) -0.0130(3) 1.000 2 i ? d Uani 0.0638(15)
C39 C 0.6556(4) 0.2594(4) -0.1798(4) 1.000 2 i ? d Uani 0.0620(15)
C40 C 0.6539(4) 0.8405(4) 0.5488(4) 1.000 2 i ? d Uani 0.0654(15)
H40 H 0.6412 0.8174 0.4860 1.000 2 i ? calc Uiso 0.07800
C41 C 0.5452(5) 0.3281(4) -0.2359(4) 1.000 2 i ? d Uani 0.0678(16)
C42 C 0.9629(4) 0.7457(4) 0.6505(4) 1.000 2 i ? d Uani 0.0672(16)
H42 H 0.9826 0.7117 0.5984 1.000 2 i ? calc Uiso 0.08100
C43 C 0.7513(4) 0.1471(4) 0.0209(4) 1.000 2 i ? d Uani 0.0761(18)
H43 H 0.8057 0.1929 0.0456 1.000 2 i ? calc Uiso 0.09100
C44 C 0.5471(5) 0.4587(4) -0.0961(4) 1.000 2 i ? d Uani 0.0709(17)
H44 H 0.5714 0.4933 -0.0328 1.000 2 i ? calc Uiso 0.08500
C45 C 0.4543(4) 0.2655(4) -0.0697(4) 1.000 2 i ? d Uani 0.0665(15)
H45 H 0.4765 0.3247 -0.0522 1.000 2 i ? calc Uiso 0.08000
C46 C 0.5943(4) 0.2530(4) -0.2614(4) 1.000 2 i ? d Uani 0.0660(16)
C47 C 0.6907(5) 0.9108(4) 0.7375(4) 1.000 2 i ? d Uani 0.0799(19)
H47 H 0.7043 0.9356 0.8006 1.000 2 i ? calc Uiso 0.09600
C48 C 1.0268(4) 0.5126(4) 0.4085(4) 1.000 2 i ? d Uani 0.0631(15)
H48 H 1.0007 0.5471 0.4561 1.000 2 i ? calc Uiso 0.07600
C49 C 0.5894(4) 0.8898(4) 0.5938(4) 1.000 2 i ? d Uani 0.0781(19)
H49 H 0.5333 0.9000 0.5609 1.000 2 i ? calc Uiso 0.09400
C50 C 0.4772(5) 0.4848(5) -0.1466(4) 1.000 2 i ? d Uani 0.0823(19)
H50 H 0.4539 0.5375 -0.1163 1.000 2 i ? calc Uiso 0.09900
C51 C 0.9900(5) 0.9285(4) 0.6044(4) 1.000 2 i ? d Uani 0.0690(16)
H51 H 0.9996 0.8714 0.5930 1.000 2 i ? calc Uiso 0.08300
C52 C 0.6867(5) 0.8870(4) 0.3672(4) 1.000 2 i ? d Uani 0.0787(18)
H52 H 0.6653 0.8256 0.3313 1.000 2 i ? calc Uiso 0.09400
C53 C 1.0087(4) 0.4254(4) 0.2478(4) 1.000 2 i ? d Uani 0.0676(16)
H53 H 0.9714 0.4005 0.1869 1.000 2 i ? calc Uiso 0.08100
C55 C 0.3538(5) 0.2272(5) -0.1091(4) 1.000 2 i ? d Uani 0.0828(19)
H55 H 0.3074 0.2606 -0.1200 1.000 2 i ? calc Uiso 0.09900
C57 C 1.0622(5) 0.6482(4) 0.2917(5) 1.000 2 i ? d Uani 0.0793(18)
H57 H 1.0433 0.6810 0.3445 1.000 2 i ? calc Uiso 0.09500
C58 C 0.6826(7) -0.0028(5) -0.0229(4) 1.000 2 i ? d Uani 0.085(2)
H58 H 0.6923 -0.0566 -0.0242 1.000 2 i ? calc Uiso 0.10200
C59 C 0.5909(6) 0.0065(4) -0.0587(4) 1.000 2 i ? d Uani 0.0809(19)
H59 H 0.5381 -0.0413 -0.0869 1.000 2 i ? calc Uiso 0.09700
C60 C 1.0578(5) 1.0012(5) 0.6736(4) 1.000 2 i ? d Uani 0.088(2)
H60 H 1.1106 0.9930 0.7117 1.000 2 i ? calc Uiso 0.10600
C61 C 1.1065(5) 0.4156(5) 0.2698(5) 1.000 2 i ? d Uani 0.090(2)
H61 H 1.1349 0.3824 0.2235 1.000 2 i ? calc Uiso 0.10800
C62 C 1.0191(5) 0.7637(5) 0.7376(6) 1.000 2 i ? d Uani 0.092(2)
H62 H 1.0789 0.7428 0.7445 1.000 2 i ? calc Uiso 0.11000
C63 C 0.9629(7) 1.1005(4) 0.6373(5) 1.000 2 i ? d Uani 0.101(3)
H63 H 0.9533 1.1582 0.6514 1.000 2 i ? calc Uiso 0.12200
C64 C 0.7544(7) 1.0704(5) 0.4726(6) 1.000 2 i ? d Uani 0.091(2)
H64 H 0.7761 1.1318 0.5082 1.000 2 i ? calc Uiso 0.10900
C65 C 0.4412(5) 0.4351(6) -0.2401(5) 1.000 2 i ? d Uani 0.093(2)
H65 H 0.3958 0.4551 -0.2725 1.000 2 i ? calc Uiso 0.11200
C66 C 0.6078(5) 0.9243(4) 0.6876(4) 1.000 2 i ? d Uani 0.087(2)
H66 H 0.5635 0.9569 0.7169 1.000 2 i ? calc Uiso 0.10400
C67 C 0.6337(5) 0.9470(5) 0.3478(5) 1.000 2 i ? d Uani 0.088(2)
H67 H 0.5741 0.9264 0.3011 1.000 2 i ? calc Uiso 0.10600
C69 C 0.7619(6) 0.0650(5) 0.0154(4) 1.000 2 i ? d Uani 0.090(2)
H69 H 0.8249 0.0560 0.0384 1.000 2 i ? calc Uiso 0.10800
C71 C 1.0498(6) 1.0847(5) 0.6880(4) 1.000 2 i ? d Uani 0.094(2)
H71 H 1.1008 1.1323 0.7309 1.000 2 i ? calc Uiso 0.11300
C72 C 0.7144(5) 0.2003(4) -0.1802(4) 1.000 2 i ? d Uani 0.086(2)
H72 H 0.7539 0.2061 -0.1257 1.000 2 i ? calc Uiso 0.10300
C73 C 0.3858(6) 0.0891(5) -0.1206(4) 1.000 2 i ? d Uani 0.087(2)
H73 H 0.3614 0.0300 -0.1393 1.000 2 i ? calc Uiso 0.10500
C74 C 0.9008(6) 0.8466(5) 0.8074(4) 1.000 2 i ? d Uani 0.093(2)
H74 H 0.8808 0.8810 0.8592 1.000 2 i ? calc Uiso 0.11200
C75 C 0.9856(6) 0.8136(5) 0.8154(5) 1.000 2 i ? d Uani 0.098(2)
H75 H 1.0227 0.8236 0.8725 1.000 2 i ? calc Uiso 0.11800
C77 C 0.4722(5) 0.3570(5) -0.2850(4) 1.000 2 i ? d Uani 0.087(2)
H77 H 0.4458 0.3221 -0.3480 1.000 2 i ? calc Uiso 0.10500
C78 C 1.1239(5) 0.5006(4) 0.4270(5) 1.000 2 i ? d Uani 0.0822(19)
H78 H 1.1631 0.5250 0.4873 1.000 2 i ? calc Uiso 0.09900
C79 C 1.0247(5) 0.5459(6) 0.1328(5) 1.000 2 i ? d Uani 0.105(3)
H79 H 0.9780 0.5082 0.0768 1.000 2 i ? calc Uiso 0.12600
C81 C 0.5930(6) 0.1814(5) -0.3453(4) 1.000 2 i ? d Uani 0.095(2)
H81 H 0.5530 0.1759 -0.3995 1.000 2 i ? calc Uiso 0.11500
C82 C 0.7155(6) 0.1289(5) -0.2649(6) 1.000 2 i ? d Uani 0.101(2)
H82 H 0.7581 0.0884 -0.2671 1.000 2 i ? calc Uiso 0.12200
C83 C 0.6515(7) 0.1195(6) -0.3465(5) 1.000 2 i ? d Uani 0.108(3)
H83 H 0.6491 0.0703 -0.4021 1.000 2 i ? calc Uiso 0.12900
C85 C 0.6731(7) 1.0382(6) 0.4005(7) 1.000 2 i ? d Uani 0.099(3)
H85 H 0.6419 1.0777 0.3850 1.000 2 i ? calc Uiso 0.11900
C86 C 1.1622(5) 0.4541(5) 0.3588(6) 1.000 2 i ? d Uani 0.093(2)
H86 H 1.2287 0.4476 0.3721 1.000 2 i ? calc Uiso 0.11200
C87 C 0.3229(5) 0.1415(6) -0.1316(5) 1.000 2 i ? d Uani 0.100(2)
H87 H 0.2549 0.1184 -0.1558 1.000 2 i ? calc Uiso 0.12000
C88 C 1.1930(6) 0.5940(7) 0.2223(9) 1.000 2 i ? d Uani 0.115(3)
H88 H 1.2603 0.5910 0.2284 1.000 2 i ? calc Uiso 0.13800
C90 C 1.1636(7) 0.6465(5) 0.2969(8) 1.000 2 i ? d Uani 0.127(3)
H90 H 1.2116 0.6821 0.3525 1.000 2 i ? calc Uiso 0.15200
C92 C 1.1268(8) 0.5466(8) 0.1405(8) 1.000 2 i ? d Uani 0.142(4)
H92 H 1.1480 0.5144 0.0889 1.000 2 i ? calc Uiso 0.17000



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
P1 O3 . . 1.487(4) no
P1 C23 . . 1.791(5) no
P1 C16 . . 1.791(5) no
P1 C28 . . 1.802(5) no
P2 O4 . . 1.465(3) no
P2 C34 . . 1.786(5) no
P2 C20 . . 1.787(5) no
P2 C17 . . 1.796(5) no
N5 C27 . . 1.402(6) no
N5 C39 . . 1.416(7) no
N5 C8 . . 1.429(6) no
N6 C21 . . 1.375(6) no
N6 C9 . . 1.405(6) no
N6 C18 . . 1.433(6) no
N7 C38 . . 1.395(7) no
N7 C14 . . 1.417(6) no
N7 C26 . . 1.420(6) no
C8 C25 . . 1.379(7) no
C8 C14 . . 1.394(7) no
C9 C15 . . 1.402(6) no
C9 C13 . . 1.404(7) no
N11 C13 . . 1.387(6) no
N11 C19 . . 1.409(6) no
N11 C24 . . 1.413(6) no
C13 C29 . . 1.418(7) no
C14 C31 . . 1.399(6) no
C15 C16 . . 1.398(6) no
C16 C17 . . 1.438(6) no
C17 C29 . . 1.363(7) no
C18 C42 . . 1.355(7) no
C18 C35 . . 1.410(7) no
C19 C51 . . 1.352(7) no
C19 C37 . . 1.431(7) no
C20 C25 . . 1.384(6) no
C20 C28 . . 1.432(6) no
C21 C40 . . 1.365(7) no
C21 C30 . . 1.409(7) no
C23 C53 . . 1.383(7) no
C23 C48 . . 1.411(7) no
C24 C52 . . 1.358(8) no
C24 C33 . . 1.403(8) no
C26 C36 . . 1.396(7) no
C26 C45 . . 1.398(7) no
C27 C44 . . 1.344(7) no
C27 C41 . . 1.393(7) no
C28 C31 . . 1.394(6) no
C30 C47 . . 1.379(7) no
C30 C35 . . 1.465(7) no
C32 C38 . . 1.368(7) no
C32 C59 . . 1.407(8) no
C32 C36 . . 1.426(8) no
C33 C64 . . 1.384(8) no
C33 C37 . . 1.435(8) no
C34 C57 . . 1.366(8) no
C34 C79 . . 1.422(9) no
C35 C74 . . 1.367(8) no
C36 C73 . . 1.410(9) no
C37 C63 . . 1.403(9) no
C38 C43 . . 1.407(8) no
C39 C72 . . 1.334(8) no
C39 C46 . . 1.419(7) no
C40 C49 . . 1.385(7) no
C41 C46 . . 1.423(8) no
C41 C77 . . 1.428(8) no
C42 C62 . . 1.402(8) no
C43 C69 . . 1.386(8) no
C44 C50 . . 1.387(8) no
C45 C55 . . 1.388(8) no
C46 C81 . . 1.392(8) no
C47 C66 . . 1.373(8) no
C48 C78 . . 1.370(8) no
C49 C66 . . 1.391(8) no
C50 C65 . . 1.374(9) no
C51 C60 . . 1.366(8) no
C52 C67 . . 1.416(8) no
C53 C61 . . 1.372(8) no
C55 C87 . . 1.356(9) no
C57 C90 . . 1.403(10) no
C58 C59 . . 1.341(9) no
C58 C69 . . 1.362(9) no
C60 C71 . . 1.354(9) no
C61 C86 . . 1.361(9) no
C62 C75 . . 1.418(10) no
C63 C71 . . 1.438(10) no
C64 C85 . . 1.339(10) no
C65 C77 . . 1.354(9) no
C67 C85 . . 1.397(10) no
C72 C82 . . 1.410(9) no
C73 C87 . . 1.333(9) no
C74 C75 . . 1.343(9) no
C78 C86 . . 1.330(9) no
C79 C92 . . 1.403(11) no
C81 C83 . . 1.367(10) no
C82 C83 . . 1.412(10) no
C88 C92 . . 1.330(12) no
C88 C90 . . 1.356(12) no

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 P1 C23 . . . 113.2(2) no
O3 P1 C16 . . . 111.2(2) no
C23 P1 C16 . . . 106.7(2) no
O3 P1 C28 . . . 113.4(2) no
C23 P1 C28 . . . 107.5(2) no
C16 P1 C28 . . . 104.2(2) no
O4 P2 C34 . . . 111.5(2) no
O4 P2 C20 . . . 112.8(2) no
C34 P2 C20 . . . 107.3(2) no
O4 P2 C17 . . . 114.3(2) no
C34 P2 C17 . . . 105.7(2) no
C20 P2 C17 . . . 104.7(2) no
C27 N5 C39 . . . 109.1(4) no
C27 N5 C8 . . . 125.6(4) no
C39 N5 C8 . . . 125.3(4) no
C21 N6 C9 . . . 126.8(4) no
C21 N6 C18 . . . 109.3(4) no
C9 N6 C18 . . . 123.5(4) no
C38 N7 C14 . . . 126.6(4) no
C38 N7 C26 . . . 106.2(4) no
C14 N7 C26 . . . 125.6(4) no
C25 C8 C14 . . . 120.0(5) no
C25 C8 N5 . . . 118.1(5) no
C14 C8 N5 . . . 121.8(5) no
C15 C9 C13 . . . 119.4(5) no
C15 C9 N6 . . . 119.8(4) no
C13 C9 N6 . . . 120.7(4) no
C13 N11 C19 . . . 124.1(4) no
C13 N11 C24 . . . 125.4(4) no
C19 N11 C24 . . . 109.2(4) no
N11 C13 C9 . . . 122.9(5) no
N11 C13 C29 . . . 118.8(4) no
C9 C13 C29 . . . 118.3(4) no
C8 C14 C31 . . . 118.9(5) no
C8 C14 N7 . . . 123.0(4) no
C31 C14 N7 . . . 118.1(4) no
C16 C15 C9 . . . 122.2(4) no
C15 C16 C17 . . . 117.8(4) no
C15 C16 P1 . . . 118.8(3) no
C17 C16 P1 . . . 123.4(4) no
C29 C17 C16 . . . 119.6(5) no
C29 C17 P2 . . . 117.0(4) no
C16 C17 P2 . . . 123.3(4) no
C42 C18 C35 . . . 123.9(5) no
C42 C18 N6 . . . 129.1(5) no
C35 C18 N6 . . . 107.1(5) no
C51 C19 N11 . . . 131.0(5) no
C51 C19 C37 . . . 121.6(5) no
N11 C19 C37 . . . 107.3(5) no
C25 C20 C28 . . . 118.5(4) no
C25 C20 P2 . . . 118.7(4) no
C28 C20 P2 . . . 122.6(4) no
C40 C21 N6 . . . 130.5(5) no
C40 C21 C30 . . . 120.0(5) no
N6 C21 C30 . . . 109.4(4) no
C53 C23 C48 . . . 118.4(5) no
C53 C23 P1 . . . 123.3(4) no
C48 C23 P1 . . . 118.3(4) no
C52 C24 C33 . . . 123.3(6) no
C52 C24 N11 . . . 128.7(5) no
C33 C24 N11 . . . 107.9(5) no
C8 C25 C20 . . . 122.3(5) no
C36 C26 C45 . . . 123.0(5) no
C36 C26 N7 . . . 107.9(5) no
C45 C26 N7 . . . 128.9(5) no
C44 C27 C41 . . . 123.2(5) no
C44 C27 N5 . . . 129.0(5) no
C41 C27 N5 . . . 107.8(5) no
C31 C28 C20 . . . 118.5(4) no
C31 C28 P1 . . . 117.2(4) no
C20 C28 P1 . . . 124.3(4) no
C17 C29 C13 . . . 122.4(5) no
C47 C30 C21 . . . 120.8(5) no
C47 C30 C35 . . . 132.6(5) no
C21 C30 C35 . . . 106.6(5) no
C28 C31 C14 . . . 121.8(5) no
C38 C32 C59 . . . 118.5(6) no
C38 C32 C36 . . . 106.5(5) no
C59 C32 C36 . . . 135.0(6) no
C64 C33 C24 . . . 117.3(7) no
C64 C33 C37 . . . 134.5(6) no
C24 C33 C37 . . . 108.2(5) no
C57 C34 C79 . . . 117.0(6) no
C57 C34 P2 . . . 124.4(5) no
C79 C34 P2 . . . 118.7(5) no
C74 C35 C18 . . . 118.5(6) no
C74 C35 C30 . . . 133.7(5) no
C18 C35 C30 . . . 107.4(4) no
C26 C36 C73 . . . 116.3(6) no
C26 C36 C32 . . . 108.2(5) no
C73 C36 C32 . . . 135.4(6) no
C63 C37 C19 . . . 118.0(6) no
C63 C37 C33 . . . 134.5(6) no
C19 C37 C33 . . . 107.3(5) no
C32 C38 N7 . . . 111.0(5) no
C32 C38 C43 . . . 122.0(6) no
N7 C38 C43 . . . 126.8(6) no
C72 C39 N5 . . . 130.6(5) no
C72 C39 C46 . . . 122.3(5) no
N5 C39 C46 . . . 107.0(5) no
C21 C40 C49 . . . 119.2(5) no
C27 C41 C46 . . . 108.7(5) no
C27 C41 C77 . . . 116.9(6) no
C46 C41 C77 . . . 134.4(6) no
C18 C42 C62 . . . 116.0(6) no
C69 C43 C38 . . . 116.4(6) no
C27 C44 C50 . . . 118.0(6) no
C55 C45 C26 . . . 116.7(6) no
C81 C46 C39 . . . 119.3(7) no
C81 C46 C41 . . . 133.4(6) no
C39 C46 C41 . . . 107.4(5) no
C66 C47 C30 . . . 118.7(5) no
C78 C48 C23 . . . 120.0(6) no
C40 C49 C66 . . . 120.6(5) no
C65 C50 C44 . . . 121.9(7) no
C19 C51 C60 . . . 120.0(6) no
C24 C52 C67 . . . 117.9(6) no
C61 C53 C23 . . . 119.3(6) no
C87 C55 C45 . . . 120.5(6) no
C34 C57 C90 . . . 119.9(7) no
C59 C58 C69 . . . 121.2(7) no
C58 C59 C32 . . . 120.0(6) no
C71 C60 C51 . . . 121.4(7) no
C86 C61 C53 . . . 120.5(6) no
C42 C62 C75 . . . 120.6(6) no
C37 C63 C71 . . . 118.0(6) no
C85 C64 C33 . . . 120.8(7) no
C77 C65 C50 . . . 119.7(6) no
C47 C66 C49 . . . 120.6(6) no
C85 C67 C52 . . . 118.3(7) no
C58 C69 C43 . . . 121.8(7) no
C60 C71 C63 . . . 120.5(6) no
C39 C72 C82 . . . 118.8(6) no
C87 C73 C36 . . . 120.5(7) no
C75 C74 C35 . . . 120.2(6) no
C74 C75 C62 . . . 120.7(6) no
C65 C77 C41 . . . 120.3(6) no
C86 C78 C48 . . . 119.9(6) no
C92 C79 C34 . . . 121.1(8) no
C83 C81 C46 . . . 118.9(7) no
C72 C82 C83 . . . 119.4(7) no
C81 C83 C82 . . . 121.2(7) no
C64 C85 C67 . . . 122.2(6) no
C78 C86 C61 . . . 121.7(6) no
C73 C87 C55 . . . 122.8(7) no
C92 C88 C90 . . . 120.9(8) no
C88 C90 C57 . . . 121.3(8) no
C88 C92 C79 . . . 119.3(9) no
_chemical_name_systematic        4CzDPDPO2A
_exptl_crystal_colour            Yellowish
_diffrn_ambient_temperature      'Room temperature'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Hexane and DCM'
