Crystallography Open Database

Information card for entry 7028202

Preview

Coordinates	7028202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 B F10 P
Calculated formula	C37 H30 B F10 P
SMILES	P1(C#CC2=CCCCC2)(=C(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=C2CCCCC12)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	12.6876 ± 0.0002 Å
b	16.4138 ± 0.0002 Å
c	16.9396 ± 0.0003 Å
α	90°
β	108.068 ± 0.001°
γ	90°
Cell volume	3353.75 ± 0.09 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	0.0662
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7028202.cif
105247	2014-03-12	cif/ Adding structures of 7028200, 7028201, 7028202, 7028203, 7028204 via cif-deposit CGI script.	7028202.cif