Crystallography Open Database

Information card for entry 7112841

Preview

Coordinates	7112841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 B O2 P
Calculated formula	C34 H34 B O2 P
SMILES	[BH3][P](c1ccccc1)(CC(c1ccccc1)(c1ccccc1)O)CC(c1ccccc1)(c1ccccc1)O
Title of publication	Unexpected direct dilithiation of a prochiral phosphine borane.
Authors of publication	Gessner, Viktoria H.; Dilsky, Stefan; Strohmann, Carsten
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4719 - 4721
a	11.9867 ± 0.0015 Å
b	13.8915 ± 0.0011 Å
c	17.6964 ± 0.0016 Å
α	90°
β	109.362 ± 0.012°
γ	90°
Cell volume	2780 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
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.	7112841.cif
112117	2014-04-29	cif/ Adding structures of 7112840, 7112841 via cif-deposit CGI script.	7112841.cif