Crystallography Open Database

Information card for entry 7112858

Preview

Coordinates	7112858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 B Li N2 P
Calculated formula	C19 H33 B Li N2 P
Title of publication	Synthesis of a 1-boratabenzene-(2,3,4,5-tetramethylphosphole): towards a planar monophosphole.
Authors of publication	Bélanger-Chabot, Guillaume; Rioux, Philippe; Maron, Laurent; Fontaine, Frédéric-Georges
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	36
Pages of publication	6816 - 6818
a	8.766 ± 0.003 Å
b	18.191 ± 0.007 Å
c	13.428 ± 0.005 Å
α	90°
β	95.435 ± 0.006°
γ	90°
Cell volume	2131.6 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1465
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112858.cif
112125	2014-04-29	cif/ Adding structures of 7112855, 7112856, 7112857, 7112858 via cif-deposit CGI script.	7112858.cif