Information card for entry 7228139

Structure parameters

• Formula: C23 H27 Cl N2 O6 S2
• Calculated formula: C23 H27 Cl N2 O6 S2
• Title of publication: Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis
• Authors of publication: Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 38
• Pages of publication: 23279
• a: 8.9468 ± 0.0009 Å
• b: 28.971 ± 0.003 Å
• c: 9.8022 ± 0.0011 Å
• α: 90°
• β: 97.029 ± 0.01°
• γ: 90°
• Cell volume: 2521.6 ± 0.5 ų
• Cell temperature: 148 ± 0.1 K
• Ambient diffraction temperature: 148 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No