Crystallography Open Database

Information card for entry 1502651

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Structure parameters

Formula	C21 H22
Calculated formula	C21 H22
SMILES	C(=C=C1C(C1(C)C)(C)C)(c1ccccc1)c1ccccc1
Title of publication	Chemistry of vinylidenecyclopropanes.
Authors of publication	Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime
Journal of publication	Chemical reviews
Year of publication	2010
Journal volume	110
Journal issue	10
Pages of publication	5883 - 5913
a	10.3256 ± 0.001 Å
b	11.1547 ± 0.0011 Å
c	15.7258 ± 0.0015 Å
α	108.462 ± 0.002°
β	93.591 ± 0.002°
γ	91.936 ± 0.002°
Cell volume	1711.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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