Information card for entry 7242817

Structure parameters

• Common name: amoxicillin sodium
• Formula: C16 H18 N3 Na O5 S
• Calculated formula: C16 H18 N3 Na O5 S
• Title of publication: Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism
• Authors of publication: Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 3995 - 4004
• a: 10.6221 ± 0.001 Å
• b: 13.075 ± 0.003 Å
• c: 13.3414 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852.9 ± 0.5 ų
• Cell temperature: 159.99 ± 0.1 K
• Ambient diffraction temperature: 159.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No