Crystallography Open Database

Information card for entry 7112014

7112013 << 7112014 >> 7112015

Preview

Coordinates	7112014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl2 O2
Calculated formula	C18 H16 Cl2 O2
SMILES	Clc1ccc(C(=O)[C@@H](C)[C@H](C)C(=O)c2ccc(Cl)cc2)cc1.Clc1ccc(C(=O)[C@H](C)[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1
Title of publication	Oxovanadium(V)-induced diastereoselective oxidative homocoupling of boron enolates
Authors of publication	Toru Amaya; Takaya Masuda; Yusuke Maegawa; Toshikazu Hirao
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2279
a	15.7021 ± 0.0002 Å
b	9.69233 ± 0.0001 Å
c	10.9905 ± 0.0002 Å
α	90°
β	93.5974 ± 0.001°
γ	90°
Cell volume	1669.35 ± 0.04 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112014.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112014.cif
103342	2014-02-28	cif/ Adding structures of 7112014, 7112015 via cif-deposit CGI script.	7112014.cif