Crystallography Open Database

Information card for entry 4026744

Preview

Coordinates	4026744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 B F4 N2
Calculated formula	C19 H23 B F4 N2
Title of publication	Electrophilicities of Symmetrically Substituted 1,3-Diarylallyl Cations
Authors of publication	Konstantin Troshin; Claus Schindele; Herbert Mayr
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	9391 - 9408
a	7.7147 ± 0.0013 Å
b	12.9963 ± 0.0012 Å
c	18.83 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1887.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4026744.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026744.cif
40819	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4026744 via cif-deposit CGI script.	4026744.cif