Crystallography Open Database

Information card for entry 2004747

2004746 << 2004747 >> 2004748

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Structure parameters

Formula	C9 H9 N O4
Calculated formula	C9 H9 N O4
SMILES	OOC(=O)c1ccc(cc1)NC(=O)C
Title of publication	Structures of Four <i>p</i>-Amidoperbenzoic Acids
Authors of publication	Feeder, N.; Jones, W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	4
Pages of publication	919 - 923
a	5.054 ± 0.001 Å
b	14.747 ± 0.005 Å
c	12.568 ± 0.003 Å
α	90°
β	92.88 ± 0.02°
γ	90°
Cell volume	935.5 ± 0.4 Å³
Cell temperature	295 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for significantly intense reflections	1.184
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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