Crystallography Open Database

Information card for entry 3000280

Preview

No preview available: structure is on hold until 2021-10-09

Coordinates	Coordinates are not available: structure is on hold until 2021-10-09

Structure parameters

Chemical name	4,7-bis[4-(N,N-diphenylamino)phenylethynyl]benzothiazole
Formula	C48 H32 Cl3 N3 S
Authors of publication	Rakovský, Erik; Hrobárik, Peter; Osuský, Patrik
Journal of publication	To be published
a	10.5498 ± 0.0008 Å
b	14.4285 ± 0.0011 Å
c	15.594 ± 0.002 Å
α	114.536 ± 0.007°
β	99.447 ± 0.008°
γ	101.858 ± 0.006°
Cell volume	2028.6 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.