Crystallography Open Database

Information card for entry 7112015

7112014 << 7112015 >> 7112016

Preview

Coordinates	7112015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 F2 O2
Calculated formula	C18 H16 F2 O2
SMILES	Fc1ccc(C(=O)[C@@H](C)[C@H](C)C(=O)c2ccc(F)cc2)cc1.Fc1ccc(C(=O)[C@H](C)[C@@H](C)C(=O)c2ccc(F)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	11.1477 ± 0.0005 Å
b	13.3381 ± 0.0006 Å
c	10.5647 ± 0.0005 Å
α	90°
β	98.775 ± 0.002°
γ	90°
Cell volume	1552.47 ± 0.12 Å³
Cell temperature	277 K
Ambient diffraction temperature	277 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	0.1517
Weighted residual factors for all reflections included in the refinement	0.4909
Goodness-of-fit parameter for all reflections included in the refinement	1.68
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.	7112015.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112015.cif
103342	2014-02-28	cif/ Adding structures of 7112014, 7112015 via cif-deposit CGI script.	7112015.cif