Crystallography Open Database

Information card for entry 7200435

7200434 << 7200435 >> 7200436

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Coordinates	7200435.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Nitrostyrene
Chemical name	β-Nitrostyrene
Formula	C8 H7 N O2
Calculated formula	C8 H7 N O2
Title of publication	Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature
Authors of publication	Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	638
a	7.9963 ± 0.0006 Å
b	5.6699 ± 0.0004 Å
c	17.4179 ± 0.0013 Å
α	90°
β	112.752 ± 0.001°
γ	90°
Cell volume	728.25 ± 0.09 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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