Information card for entry 4507125

Structure parameters

• Formula: C30 H28 Cl2 N4 O
• Calculated formula: C30 H28 Cl2 N4 O
• SMILES: Clc1ccc(n2c3c(nc4c2cccc4)cc(Nc2ccc(Cl)cc2)c(=NC(C)C)c3)cc1.O=C(C)C
• 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: 10.0842 ± 0.0013 Å
• b: 12.0695 ± 0.0016 Å
• c: 12.6613 ± 0.0016 Å
• α: 75.278 ± 0.002°
• β: 66.588 ± 0.002°
• γ: 69.051 ± 0.002°
• Cell volume: 1309.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No