Crystallography Open Database

Information card for entry 7200440

7200439 << 7200440 >> 7200441

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Coordinates	7200440.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Dimethylamino-beta-nitrostyrene
Chemical name	4-Dimethylamino-β-nitrostyrene
Formula	C10 H12 N2 O2
Calculated formula	C10 H12 N2 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	10.1607 ± 0.0005 Å
b	7.296 ± 0.0004 Å
c	25.1132 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1861.7 ± 0.17 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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