Information card for entry 1564488

Structure parameters

• Formula: C16 H18 N2 O4 S
• Calculated formula: C16 H18 N2 O4 S
• Title of publication: Study of penicillin degradation mechanism upon interaction with silver(I) ions
• Authors of publication: Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119683
• a: 5.8137 ± 0.0017 Å
• b: 15.8848 ± 0.0019 Å
• c: 17.238 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.9 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No