Crystallography Open Database

Information card for entry 4021249

Preview

Coordinates	4021249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N7
Calculated formula	C26 H20 N7
SMILES	[N]1N(C(N(N=C1c1ccc(N=N#N)cc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals
Authors of publication	Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	5247 - 5260
a	6.5406 ± 0.0001 Å
b	13.1924 ± 0.0003 Å
c	25.7914 ± 0.0008 Å
α	90°
β	95.0885 ± 0.0009°
γ	90°
Cell volume	2216.67 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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