Information card for entry 7245977

Structure parameters

• Formula: C46 H50 Cl2 N6 O17 S2
• Calculated formula: C46 H50 Cl2 N6 O17 S2
• Title of publication: Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties
• Authors of publication: Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 54
• Pages of publication: 34843 - 34850
• a: 30.1649 ± 0.0013 Å
• b: 7.7132 ± 0.0003 Å
• c: 10.9391 ± 0.0004 Å
• α: 90°
• β: 95.377 ± 0.001°
• γ: 90°
• Cell volume: 2533.98 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No