Crystallography Open Database

Information card for entry 7112856

Preview

Coordinates	7112856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 B Li N2 P
Calculated formula	C19 H33 B Li N2 P
SMILES	p1(c(c(c(c1C)C)C)C)[B]12=[CH]3[CH]4=[CH]5[CH]6=[CH]1[Li]123456[N](C)(C)CC[N]1(C)C
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	8.7343 ± 0.0005 Å
b	18.1187 ± 0.0009 Å
c	13.3941 ± 0.0007 Å
α	90°
β	95.63 ± 0.003°
γ	90°
Cell volume	2109.45 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0958
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
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.	7112856.cif
112125	2014-04-29	cif/ Adding structures of 7112855, 7112856, 7112857, 7112858 via cif-deposit CGI script.	7112856.cif