Information card for entry 2227100

Structure parameters

• Common name: potassium clavlanate
• Chemical name: potassium (2<i>R</i>,5<i>R</i>,<i>Z</i>)- 3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
• Formula: C8 H8 K N O5
• Calculated formula: C8 H8 K N O5
• SMILES: C1(=O)C[C@H]2OC(=C\CO)/[C@H](C(=O)[O-])N12.[K+]
• Title of publication: Potassium clavulanate
• Authors of publication: Fujii, Kotaro; Toyota, Kazuyuki; Sekine, Akiko; Uekusa, Hidehiro; Nugrahani, Ilma; Asyarie, Sukmadjaja; Soewandhi, N. Sundani; Ibrahim, Slamet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m985 - m986
• a: 4.3453 ± 0.0006 Å
• b: 7.8191 ± 0.0011 Å
• c: 27.491 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 934 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0928
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes