Crystallography Open Database

Information card for entry 8104658

Preview

Coordinates	8104658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 N S
Calculated formula	C10 H9 N S
Title of publication	The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2
Authors of publication	Zhai, Zhi-Wei; Yang, Shuang-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	1031 - 1033
a	7.9214 ± 0.0001 Å
b	6.0808 ± 0.0001 Å
c	17.8091 ± 0.0003 Å
α	90°
β	90.592 ± 0.002°
γ	90°
Cell volume	857.79 ± 0.02 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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