Crystallography Open Database

Information card for entry 4103311

Preview

Coordinates	4103311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H66 B Li N2 O2
Calculated formula	C41 H66 B Li N2 O2
Title of publication	A Viable Anionic N-Heterocyclic Dicarbene
Authors of publication	Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14370 - 14372
a	11.7165 ± 0.0007 Å
b	17.9698 ± 0.0011 Å
c	19.7863 ± 0.0012 Å
α	90°
β	101.539 ± 0.001°
γ	90°
Cell volume	4081.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0999
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178779 (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 4/10/33.	4103311.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103311.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103311.cif
26292	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103311 via cif-deposit CGI script.	4103311.cif