Information card for entry 2108524

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: 10.4385 ± 0.0011 Å
• b: 10.7052 ± 0.0011 Å
• c: 14.2725 ± 0.0014 Å
• α: 90.444 ± 0.002°
• β: 95.087 ± 0.003°
• γ: 113.92 ± 0.002°
• Cell volume: 1450.5 ± 0.3 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: 0.0834
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes