Crystallography Open Database

Information card for entry 4109082

Preview

Coordinates	4109082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Br4 O2
Calculated formula	C20 H12 Br4 O2
SMILES	Brc1cc2C=C[C@H]3[C@H](O[C@@H]4[C@H]3[C@@H]3O[C@H]4c4cc(Br)c(Br)cc34)c2cc1Br
Title of publication	Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes
Authors of publication	Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1492 - 1493
a	10.419 ± 0.005 Å
b	7.186 ± 0.003 Å
c	12.309 ± 0.006 Å
α	90°
β	91.26 ± 0.02°
γ	90°
Cell volume	921.4 ± 0.7 Å³
Cell temperature	123.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.341
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109082.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109082.cif
57834	2012-05-22	cif/ Adding structures of 4109082 via cif-deposit CGI script.	4109082.cif