Crystallography Open Database

Information card for entry 2201484

2201483 << 2201484 >> 2201485

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Structure parameters

Formula	C21 H22 N2 O2
Calculated formula	C21 H22 N2 O2
SMILES	O(c1c(ccc(OC)c1)/C=C/C1=CC(=C(C#N)C#N)CC(C1)(C)C)C
Title of publication	2-{3-[2-(2,4-Dimethoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enylidene}malononitrile
Authors of publication	Kolev, Tsonko; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Spiteller, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	10
Pages of publication	o1172 - o1173
a	7.7607 ± 0.0002 Å
b	8.9488 ± 0.0002 Å
c	14.7723 ± 0.0004 Å
α	75.4549 ± 0.001°
β	79.0465 ± 0.0011°
γ	69.9378 ± 0.0011°
Cell volume	926.68 ± 0.04 Å³
Cell temperature	291 ± 1 K
Ambient diffraction temperature	291 ± 1 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	0.1157
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	0.865
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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