Crystallography Open Database

Information card for entry 4029785

Preview

Coordinates	4029785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 B F3 N
Calculated formula	C23 H35 B F3 N
Title of publication	CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.
Authors of publication	Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2010
Journal volume	6
Pages of publication	709 - 712
a	8.0309 ± 0.0017 Å
b	14.995 ± 0.003 Å
c	9.5461 ± 0.0019 Å
α	90°
β	106.162 ± 0.004°
γ	90°
Cell volume	1104.1 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.363
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
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029785.cif
120305	2014-07-14	cif/ Adding structures of 4029785 via cif-deposit CGI script.	4029785.cif