Crystallography Open Database

Information card for entry 1515919

Preview

Coordinates	1515919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 B F2 N2
Calculated formula	C23 H15 B F2 N2
SMILES	F[B]1(F)n2cccc2C(=c2[n]1ccc2)c1c2ccccc2cc2c1cccc2
Title of publication	Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad.
Authors of publication	Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2010
Journal volume	9
Journal issue	7
Pages of publication	1009 - 1017
a	13.0065 ± 0.0007 Å
b	12.4226 ± 0.0006 Å
c	21.8351 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3528 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0673
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515919.cif
112452	2014-05-01	cif/ Adding structures of 1515919 via cif-deposit CGI script.	1515919.cif