Information card for entry 7160698

Structure parameters

• Formula: C18 H20 Cl N O2
• Calculated formula: C18 H20 Cl N O2
• 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: 9.0144 ± 0.0005 Å
• b: 18.2455 ± 0.0009 Å
• c: 10.1329 ± 0.0005 Å
• α: 90°
• β: 94.613 ± 0.004°
• γ: 90°
• Cell volume: 1661.18 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No