Crystallography Open Database

Information card for entry 7200438

7200437 << 7200438 >> 7200439

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Coordinates	7200438.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	10.2466 ± 0.0006 Å
b	7.3631 ± 0.0004 Å
c	25.1655 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1898.65 ± 0.19 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0549
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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