Crystallography Open Database

Information card for entry 7059186

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Structure parameters

Formula	C25 H16 O S
Calculated formula	C25 H16 O S
Title of publication	Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors
Authors of publication	Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	3
Pages of publication	845 - 851
a	5.25 ± 0.006 Å
b	15.787 ± 0.019 Å
c	20.19 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	1673 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7059186.cif
257906	2020-10-06	cif/ Updating files of 7059186, 7059187, 7059188 Original log message: Adding full bibliography for 7059186--7059188.cif.	7059186.cif
247798	2020-02-04	cif/ Updating files of 7059186, 7059187, 7059188 Original log message: Adding full bibliography for 7059186--7059188.cif.	7059186.cif
246391	2020-01-01	cif/ Adding structures of 7059186, 7059187, 7059188 via cif-deposit CGI script.	7059186.cif