Crystallography Open Database

Information card for entry 7233667

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Coordinates	7233667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 N2 O4 S2
Calculated formula	C36 H36 N2 O4 S2
Title of publication	Phthalimide-thiophene-based conjugated organic small molecules with high electron mobility
Authors of publication	Jon-Paul Sun; Arthur D. Hendsbee; Ala a F. Eftaiha; Casper Macaulay; Lesley R. Rutledge; Gregory C. Welch; Ian G. Hill
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	2612 - 2621
a	5.021 ± 0.005 Å
b	11.022 ± 0.012 Å
c	14.579 ± 0.015 Å
α	107.556 ± 0.012°
β	94.166 ± 0.013°
γ	95.76 ± 0.012°
Cell volume	760.8 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3388
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	0.583
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287940 (current)	2023-12-01	cif/ Corrected the misspelt variants of the '_publ_section_exptl_refinement' data name in multiple entries.	7233667.cif
218004	2019-09-05	cif/ Adding structures of 7233667 via cif-deposit CGI script.	7233667.cif