Crystallography Open Database

Information card for entry 7028204

Preview

Coordinates	7028204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 Cl2 P
Calculated formula	C15 H23 Cl2 P
SMILES	P(Cl)(Cl)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.
Authors of publication	Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	632 - 638
a	11.1581 ± 0.0002 Å
b	14.1182 ± 0.0003 Å
c	11.586 ± 0.0002 Å
α	90°
β	117.115 ± 0.001°
γ	90°
Cell volume	1624.57 ± 0.06 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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 all reflections	0.0403
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028204.cif
105247	2014-03-12	cif/ Adding structures of 7028200, 7028201, 7028202, 7028203, 7028204 via cif-deposit CGI script.	7028204.cif