Crystallography Open Database

Information card for entry 7200442

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Structure parameters

Common name	4-Methoxy-beta-nitrostyrene
Chemical name	4-Methoxy-β-nitrostyrene
Formula	C9 H9 N O3
Calculated formula	C9 H9 N O3
SMILES	N(=O)(=O)/C=C/c1ccc(OC)cc1
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	5.7014 ± 0.0003 Å
b	8.4321 ± 0.0005 Å
c	9.1812 ± 0.0005 Å
α	103.481 ± 0.001°
β	90.271 ± 0.001°
γ	97.265 ± 0.001°
Cell volume	425.51 ± 0.04 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0399
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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