Crystallography Open Database

Information card for entry 7054068

Preview

Coordinates	7054068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 B2 F4 N4 O2
Calculated formula	C24 H16 B2 F4 N4 O2
SMILES	[B]1(F)(F)[n]2cccc2=C(Oc2cccc(OC3=c4[n]([B](F)(F)n5c3ccc5)ccc4)c2)c2n1ccc2
Title of publication	meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties
Authors of publication	Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	8
Pages of publication	3579
a	9.9907 ± 0.0007 Å
b	10.7791 ± 0.0009 Å
c	11.2843 ± 0.0009 Å
α	81.573 ± 0.007°
β	66.188 ± 0.008°
γ	83.531 ± 0.007°
Cell volume	1097.84 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180094 (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 7/05/40.	7054068.cif
121732	2014-08-08	cif/ Updating files of 7054066, 7054067, 7054068, 7054069 Original log message: Adding full bibliography for 7054066--7054069.cif.	7054068.cif
109640	2014-04-17	cif/ Adding structures of 7054066, 7054067, 7054068, 7054069 via cif-deposit CGI script.	7054068.cif