Crystallography Open Database

Information card for entry 1506778

Preview

Coordinates	1506778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Br O3 Si
Calculated formula	C28 H31 Br O3 Si
SMILES	Brc1ccc(cc1)C(=O)O[C@@H](/C=C/[C@@H]1O[C@H]1[Si](C)(C(C)(C)C)C)c1cc2c(cc1)cccc2.Brc1ccc(cc1)C(=O)O[C@H](/C=C/[C@H]1O[C@@H]1[Si](C)(C(C)(C)C)C)c1cc2c(cc1)cccc2
Title of publication	Asymmetric [2,3]-Wittig rearrangement induced by a chiral carbanion whose chirality was transferred from an epoxide.
Authors of publication	Sasaki, Michiko; Higashi, Mariko; Masu, Hyuma; Yamaguchi, Kentaro; Takeda, Kei
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	26
Pages of publication	5913 - 5915
a	30.718 ± 0.003 Å
b	6.6546 ± 0.0006 Å
c	26.833 ± 0.003 Å
α	90°
β	105.942 ± 0.002°
γ	90°
Cell volume	5274.1 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1402
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1506778.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506778.cif
50585	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506778 via cif-deposit CGI script.	1506778.cif