Crystallography Open Database

Information card for entry 7054209

Preview

Coordinates	7054209.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	di-naphtalen-boron-substituted Bodipy
Formula	C38 H39 B N2
Calculated formula	C38 H39 B N2
Title of publication	New fluorescent aryl- or ethynylaryl-boron-substituted indacenes as promising dyes
Authors of publication	Ulrich, Gilles; Goze, Christine; Goeb, Sébastien; Retailleau, Pascal; Ziessel, Raymond
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	7
Pages of publication	982 - 986
a	13.236 ± 0.005 Å
b	13.934 ± 0.005 Å
c	18.545 ± 0.005 Å
α	102.109 ± 0.005°
β	90.215 ± 0.005°
γ	112.416 ± 0.005°
Cell volume	3078.2 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180096 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42.	7054209.cif
132209	2015-02-21	cif/7/05/42/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7054209.	7054209.cif
114143	2014-05-22	cif/ Adding structures of 7054209 via cif-deposit CGI script.	7054209.cif