Information card for entry 2208174

Structure parameters

• Common name: Ampicillin trihydrate
• Chemical name: 6-[D(-)-α-Aminophenylacetamido]penicillanic acid trihydrate
• Formula: C16 H25 N3 O7 S
• Calculated formula: C16 H25 N3 O7 S
• SMILES: O.O.O.C1([C@H](C(=O)[O-])N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c2ccccc2)[NH3+])S1)(C)C
• Title of publication: Ampicillin trihydrate from synchrotron powder diffraction data
• Authors of publication: Burley, Jonathan C.; Van de Streek, Jacco; Stephens, Peter W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o797 - o799
• a: 15.52275 ± 0.00016 Å
• b: 18.9256 ± 0.0003 Å
• c: 6.67375 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1960.6 ± 0.04 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 25 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
• Goodness-of-fit parameter for all reflections: 2.37
• Diffraction radiation wavelength: 0.7003 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No