Information card for entry 4507126

Structure parameters

• Formula: C33 H27 Cl2 N5 O2
• Calculated formula: C33 H27 Cl2 N5 O2
• SMILES: Clc1ccc(Nc2cc3nc4c([n+](c3cc2NC(C)C)c2ccc(Cl)cc2)cccc4)cc1.[O-]C(=O)c1ccncc1
• 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: 9.8153 ± 0.0009 Å
• b: 12.1738 ± 0.001 Å
• c: 15.2122 ± 0.001 Å
• α: 72.455 ± 0.007°
• β: 77.844 ± 0.007°
• γ: 66.479 ± 0.008°
• Cell volume: 1580.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No