Crystallography Open Database

Information card for entry 1505248

Preview

Coordinates	1505248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22
Calculated formula	C25 H22
SMILES	c1cccc2c1C(=CC2C(=C(C)C)c1ccccc1)c1ccccc1
Title of publication	Lewis acid catalyzed rearrangement of vinylcyclopropenes for the construction of naphthalene and indene skeletons.
Authors of publication	Shao, Li-Xiong; Zhang, Yun-Peng; Qi, Ming-Hui; Shi, Min
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	1
Pages of publication	117 - 120
a	8.1168 ± 0.0019 Å
b	10.068 ± 0.002 Å
c	11.493 ± 0.003 Å
α	93.001 ± 0.004°
β	98.563 ± 0.004°
γ	98.08 ± 0.004°
Cell volume	916.9 ± 0.4 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0933
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176729 (current)	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.	1505248.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505248.cif
45454	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505248 via cif-deposit CGI script.	1505248.cif