Information card for entry 7237545

Structure parameters

• Chemical name: 1,2-Bis(2-methyl-5-phenyl-3-thienyl)tetrafluorobenzene
• Formula: C28 H18 F4 S2
• Calculated formula: C28 H18 F4 S2
• Title of publication: 1,2-Diarylbenzene as fast T-type photochromic switch
• Authors of publication: Kitagawa, Daichi; Nakahama, Tatsumoto; Nakai, Yoshihiro; Kobatake, Seiya
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2865
• a: 7.5411 ± 0.0003 Å
• b: 14.0447 ± 0.0005 Å
• c: 22.0416 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2334.48 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0406
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No