Information card for entry 4507129

Structure parameters

• Formula: C28 H28 Cl2 N4 O4 S
• Calculated formula: C28 H28 Cl2 N4 O4 S
• SMILES: S(=O)(=O)([O-])C.Clc1ccc(Nc2cc3nc4c([n+](c3cc2NC(C)C)c2ccc(Cl)cc2)cccc4)cc1.O
• Title of publication: Clofazimine Mesylate: A High Solubility Stable Salt
• Authors of publication: Bolla, Geetha; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6250
• a: 9.5945 ± 0.0012 Å
• b: 11.0456 ± 0.0012 Å
• c: 14.4628 ± 0.0011 Å
• α: 110.173 ± 0.009°
• β: 95.859 ± 0.009°
• γ: 94.929 ± 0.009°
• Cell volume: 1419.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No