Information card for entry 1564487

Structure parameters

• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: O1C(=N/C(=C\N)C1=O)Cc1ccccc1
• 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: 23.8266 ± 0.0004 Å
• b: 11.62179 ± 0.00016 Å
• c: 15.2014 ± 0.0002 Å
• α: 90°
• β: 106.68 ± 0.0017°
• γ: 90°
• Cell volume: 4032.26 ± 0.11 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No