Information card for entry 7134688

Structure parameters

• Formula: C28 H22 F2 N2 S2
• Calculated formula: C28 H22 F2 N2 S2
• Title of publication: Twisting of aryl groups affects thermal back reactivity of diarylbenzene photoswitches.
• Authors of publication: Fukata, Oka; Kitagawa, Daichi; Mutoh, Katsuya; Kobatake, Seiya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 59
• Pages of publication: 11057 - 11060
• a: 11.294 ± 0.0001 Å
• b: 22.7558 ± 0.0002 Å
• c: 9.1549 ± 0.0001 Å
• α: 90°
• β: 92.8389 ± 0.0008°
• γ: 90°
• Cell volume: 2349.96 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No