Information card for entry 7160697

Structure parameters

• Formula: C25 H18 N2 S2
• Calculated formula: C25 H18 N2 S2
• Title of publication: Oxidative functionalization of cyclopentane-1,3-diones: cell imaging studies of diphenothiazine derivatives.
• Authors of publication: Dubey, Sapana; Trivedi, Pragya; Sau, Madan; Mandal, Sukanya; Roy, Shreya; Rout, Subhrakanta; Das, Subhojit; Sahoo, Gokarneswar; Bonne, Damien; Das, Tapas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 38
• Pages of publication: 8672 - 8677
• a: 10.6819 ± 0.0009 Å
• b: 15.6337 ± 0.0015 Å
• c: 12.8651 ± 0.0011 Å
• α: 90°
• β: 104.783 ± 0.009°
• γ: 90°
• Cell volume: 2077.3 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.132
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No