Crystallography Open Database

Information card for entry 7122326

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Structure parameters

Formula	C11 H13 N5
Calculated formula	C11 H13 N5
Title of publication	Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.
Authors of publication	Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	79
Pages of publication	11148 - 11151
a	10.2177 ± 0.001 Å
b	11.0976 ± 0.0011 Å
c	19.154 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2171.9 ± 0.4 Å³
Cell temperature	189 ± 17 K
Ambient diffraction temperature	189 ± 17 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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