Crystallography Open Database

Information card for entry 1506270

Preview

Coordinates	1506270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26
Calculated formula	C36 H26
SMILES	C1(=C(Cc2c1cccc2)C1=C(c2c(C1c1ccccc1)cccc2)c1ccccc1)c1ccccc1
Title of publication	Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.
Authors of publication	Lu, Jian-Mei; Shi, Min
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	23
Pages of publication	5317 - 5320
a	14.792 ± 0.003 Å
b	10.495 ± 0.002 Å
c	16.383 ± 0.003 Å
α	90°
β	95.915 ± 0.005°
γ	90°
Cell volume	2529.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2298
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	0.792
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.	1506270.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506270.cif
48138	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506270 via cif-deposit CGI script.	1506270.cif