Crystallography Open Database

Information card for entry 7133076

Preview

Coordinates	7133076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N S
Calculated formula	C15 H11 N S
Title of publication	Off-the-shelf thermosalience of anthracene-9-thiocarboxamide.
Authors of publication	George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	60
Pages of publication	7697 - 7700
a	9.1868 ± 0.0001 Å
b	9.9277 ± 0.0001 Å
c	13.1688 ± 0.0002 Å
α	81.952 ± 0.001°
β	83.305 ± 0.001°
γ	77.93 ± 0.001°
Cell volume	1158.19 ± 0.03 Å³
Cell temperature	179.94 ± 0.1 K
Ambient diffraction temperature	179.94 ± 0.1 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	0.0552
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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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