Crystallography Open Database

Information card for entry 7053787

Preview

Coordinates	7053787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 Cl4 N4
Calculated formula	C42 H26 Cl4 N4
SMILES	Clc1c(cc(Cl)cc1Cl)C1(n2c(nc(c2c2ccccc2)c2ccccc2)c2c(Cl)cccc2)N=C(c2ccccc2)C(=N1)c1ccccc1
Title of publication	Formation of hexaarylbiimidazole heterodimers via the cross recombination of two lophyl radicals
Authors of publication	Kimoto, Atsushi; Niitsu, Shimpei; Iwahori, Fumiyasu; Abe, Jiro
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	6
Pages of publication	1339
a	16.1217 ± 0.0004 Å
b	12.4587 ± 0.0003 Å
c	34.4958 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6928.7 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
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	0.1329
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7053787.html