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

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1502651.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502651.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502651.cif
36604	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502651 via cif-deposit CGI script.	1502651.cif