Information card for entry 7251100

Structure parameters

• Formula: C32 H19 Cl3 N4 S2
• Calculated formula: C32 H19 Cl3 N4 S2
• Title of publication: Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence
• Authors of publication: Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 46
• Pages of publication: 7484 - 7490
• a: 10.29396 ± 0.00007 Å
• b: 23.41077 ± 0.00018 Å
• c: 11.59685 ± 0.00008 Å
• α: 90°
• β: 91.6145 ± 0.0006°
• γ: 90°
• Cell volume: 2793.61 ± 0.03 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.037
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No