Crystallography Open Database

Information card for entry 4120677

4120676 << 4120677 >> 4120678

Preview

Coordinates	4120677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 B2 F15 Si2
Calculated formula	C40 H33 B2 F15 Si2
Title of publication	Borole formation by 1,1-carboboration.
Authors of publication	Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	1
Pages of publication	68 - 71
a	11.6645 ± 0.0004 Å
b	12.2645 ± 0.0005 Å
c	18.5329 ± 0.0007 Å
α	108.563 ± 0.002°
β	96.887 ± 0.002°
γ	98.819 ± 0.002°
Cell volume	2443.04 ± 0.16 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120677.cif
106661	2014-03-15	cif/ Adding structures of 4120674, 4120675, 4120676, 4120677, 4120678 via cif-deposit CGI script.	4120677.cif