Crystallography Open Database

Information card for entry 4109083

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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

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