Crystallography Open Database

Information card for entry 2231972

2231971 << 2231972 >> 2231973

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Structure parameters

Chemical name	2-Methylpropan-2-aminium 2-(methoxycarbonyl)benzoate
Formula	C13 H19 N O4
Calculated formula	C13 H19 N O4
Title of publication	2-Methylpropan-2-aminium 2-(methoxycarbonyl)benzoate
Authors of publication	Li, Jian
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	o2705
a	9.2939 ± 0.0008 Å
b	7.0159 ± 0.0006 Å
c	10.5536 ± 0.0011 Å
α	90°
β	103.322 ± 0.001°
γ	90°
Cell volume	669.63 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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