Crystallography Open Database

Information card for entry 7028201

Preview

Coordinates	7028201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 B F10 P
Calculated formula	C31 H22 B F10 P
SMILES	P1(=C(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=C(C1)C)(C#CC(=C)C)c1c(cc(cc1C)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	15.3216 ± 0.0005 Å
b	9.6881 ± 0.0003 Å
c	19.8939 ± 0.0007 Å
α	90°
β	104.373 ± 0.002°
γ	90°
Cell volume	2860.57 ± 0.17 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.0505
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7028201.cif
105247	2014-03-12	cif/ Adding structures of 7028200, 7028201, 7028202, 7028203, 7028204 via cif-deposit CGI script.	7028201.cif