Crystallography Open Database

Information card for entry 7122329

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Structure parameters

Formula	C13 H15 N5
Calculated formula	C13 H15 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	12.0745 ± 0.0008 Å
b	9.2802 ± 0.0007 Å
c	11.0512 ± 0.0006 Å
α	90°
β	96.656 ± 0.005°
γ	90°
Cell volume	1229.98 ± 0.14 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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