Information card for entry 2108523

Structure parameters

• Formula: C23 H37 Cl N4 O6 S2
• Calculated formula: C23 H37 Cl N4 O6 S2
• Title of publication: Solvates of acotiamide hydrochloride: characterization and phase transformation
• Authors of publication: Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 8.0881 ± 0.0004 Å
• b: 11.276 ± 0.0007 Å
• c: 16.2993 ± 0.0011 Å
• α: 98.21 ± 0.005°
• β: 95.377 ± 0.005°
• γ: 101.106 ± 0.005°
• Cell volume: 1432.44 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes