Information card for entry 2009929

Structure parameters

• Formula: C24 H38 N2 Na2 O15 S2
• Calculated formula: C24 N2 Na2 O15 S2
• SMILES: S1C(=C2N3[C@H]1[C@H](C3=[O]1[Na](OC2=O)([OH2])([OH2])[O]2=C3N4C(=C(S[C@@H]4[C@H]3[C@H](O)C)[C@@H]3OC=CC3)C(=O)O[Na]12([OH2])[OH2])[C@H](O)C)[C@@H]1OC=CC1.O
• Title of publication: A hydrate of the sodium salt of a penem carboxylic acid
• Authors of publication: Oyama, Yoshiaki; Imajo, Seiichi; Tanaka, Rie; Ishiguro, Masaji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1254 - 1256
• a: 9.208 ± 0.001 Å
• b: 32.454 ± 0.002 Å
• c: 5.495 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.1 ± 0.9 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No