Crystallography Open Database

Information card for entry 7029323

Preview

Coordinates	7029323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H30 B10 O2
Calculated formula	C11 H30 B10 O2
Title of publication	Reduction of hydroxy-functionalised carbaboranyl carboxylic acids to tertiary alcohols by organolithium reagents.
Authors of publication	Neumann, Wilma; Hiller, Markus; Lönnecke, Peter; Hey-Hawkins, Evamarie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	4935 - 4937
a	11.6357 ± 0.0009 Å
b	9.7575 ± 0.0008 Å
c	31.537 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3580.6 ± 0.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179999 (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 7/02/93.	7029323.cif
107120	2014-03-17	cif/ Adding structures of 7029323 via cif-deposit CGI script.	7029323.cif