Crystallography Open Database

Information card for entry 4109083

Preview

Coordinates	4109083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Br2 O5
Calculated formula	C18 H16 Br2 O5
SMILES	Brc1c(c2C=C[C@H]3[C@H](OC(=C3C(=O)OC)C(=O)OC)c2c(c1Br)C)C
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	12.21 ± 0.01 Å
b	4.332 ± 0.003 Å
c	16.228 ± 0.012 Å
α	90°
β	100.52 ± 0.03°
γ	90°
Cell volume	843.9 ± 1.1 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	0.0664
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4109083.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109083.cif
57835	2012-05-22	cif/ Adding structures of 4109083 via cif-deposit CGI script.	4109083.cif