Information card for entry 8104967

Structure parameters

• Formula: C30 H20 Cl2 N2 O4 S2
• Calculated formula: C30 H20 Cl2 N2 O4 S2
• Title of publication: Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2
• Authors of publication: Jia, Li-Mei; Luo, Peng; Pan, Wei-Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 81 - 83
• a: 16.9808 ± 0.0014 Å
• b: 7.5227 ± 0.0006 Å
• c: 20.8027 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2657.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No