Crystallography Open Database

Information card for entry 4104679

Preview

Coordinates	4104679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 B Li N2 O2
Calculated formula	C30 H46 B Li N2 O2
Title of publication	Chemistry of Boryllithium: Synthesis, Structure, and Reactivity
Authors of publication	Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9600 - 9600
a	17.0118 ± 0.0011 Å
b	19.5103 ± 0.0011 Å
c	18.357 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6092.8 ± 0.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.1036
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.2329
Weighted residual factors for all reflections included in the refinement	0.2575
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178792 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/46.	4104679.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4104679.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104679.cif
29705	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104679 via cif-deposit CGI script.	4104679.cif