Information card for entry 4507130

Structure parameters

• Formula: C33 H27 Cl2 N5 O2
• Calculated formula: C33 H27 Cl2 N5 O2
• SMILES: Clc1ccc([n+]2c3cc(c(Nc4ccc(Cl)cc4)cc3nc3c2cccc3)NC(C)C)cc1.O=C(c1cnccc1)[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: 11.6032 ± 0.0013 Å
• b: 15.361 ± 0.002 Å
• c: 18.733 ± 0.003 Å
• α: 111.337 ± 0.014°
• β: 91.28 ± 0.011°
• γ: 109.295 ± 0.011°
• Cell volume: 2896.5 ± 0.8 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: 0.115
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No