Crystallography Open Database

Information card for entry 2216331

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Structure parameters

Chemical name	4-Hydroxy-2,2,6,6-tetramethylpiperidinium nitrate
Formula	C9 H20 N2 O4
Calculated formula	C9 H20 N2 O4
SMILES	C1(CC(O)CC([NH2+]1)(C)C)(C)C.N(=O)(=O)[O-]
Title of publication	4-Hydroxy-2,2,6,6-tetramethylpiperidinium nitrate
Authors of publication	Shou-Cheng Pu; Wen-Yuan Gao; Yi Deng; Chun-Ling Tu
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	12
Pages of publication	o4896 - o4896
a	11.6721 ± 0.0015 Å
b	10.5156 ± 0.0012 Å
c	9.6565 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1185.2 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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