Crystallography Open Database

Information card for entry 4027070

Preview

Coordinates	4027070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H44 B N2 O
Calculated formula	C41 H44 B N2 O
Title of publication	N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents
Authors of publication	James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	2808 - 2818
a	10.969 ± 0.004 Å
b	19.154 ± 0.003 Å
c	15.685 ± 0.002 Å
α	90°
β	104.199 ± 0.014°
γ	90°
Cell volume	3194.7 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1218
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2174
Weighted residual factors for all reflections included in the refinement	0.2585
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178449 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70.	4027070.cif
81138	2013-04-14	cif/ Adding structures of 4027070 via cif-deposit CGI script.	4027070.cif