Crystallography Open Database

Information card for entry 7122328

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Structure parameters

Formula	C11 H19 N5
Calculated formula	C11 H19 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	6.8335 ± 0.0013 Å
b	9.1979 ± 0.0015 Å
c	10.0075 ± 0.0017 Å
α	94.814 ± 0.014°
β	103.101 ± 0.015°
γ	96.922 ± 0.014°
Cell volume	604.13 ± 0.19 Å³
Cell temperature	292.55 ± 0.1 K
Ambient diffraction temperature	292.55 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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