Information card for entry 7134689

Structure parameters

• Formula: C32 H30 F2 N2 S2
• Calculated formula: C32 H30 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: 19.0612 ± 0.0003 Å
• b: 12.1912 ± 0.0001 Å
• c: 13.5755 ± 0.0002 Å
• α: 90°
• β: 121.113 ± 0.002°
• γ: 90°
• Cell volume: 2700.86 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No