Crystallography Open Database

Information card for entry 2206032

2206031 << 2206032 >> 2206033

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Structure parameters

Formula	C16 H14 N2 O4
Calculated formula	C16 H14 N2 O4
Title of publication	Benzimidazolium hydrogen phenylmalonate
Authors of publication	Shunsuke Ueda; Takeo Fukunaga; Hiroyuki Ishida
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	6
Pages of publication	o1845 - o1847
a	5.1003 ± 0.0013 Å
b	9.244 ± 0.003 Å
c	15.274 ± 0.004 Å
α	102.2 ± 0.5°
β	90.64 ± 0.02°
γ	99.87 ± 0.02°
Cell volume	692.6 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections	0.214
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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