Crystallography Open Database

Information card for entry 4021251

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Structure parameters

Formula	C13 H16 N5 O2
Calculated formula	C13 H16 N5 O2
SMILES	O=[N]1C(C(N(=O)=C1c1cc(N=N#N)ccc1)(C)C)(C)C
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	7.3818 ± 0.0003 Å
b	17.5152 ± 0.0009 Å
c	12.1987 ± 0.0008 Å
α	90°
β	120 ± 0.18°
γ	90°
Cell volume	1407.07 ± 0.13 Å³
Cell temperature	298 K
Number of distinct elements	4
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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