Information card for entry 2004768

Structure parameters

• Chemical name: (2R,3R) 3-Amino-1-(1'-methyloxycarbonyl-2-methyl-prop-1'-enyl)-4-oxoazetidine-2- sulfonic Acid Monohydrate
• Formula: C9 H16 N2 O7 S
• Calculated formula: C9 H16 N2 O7 S
• Title of publication: (2<i>R</i>,3<i>R</i>)-3-Ammonio-1-(1-methoxycarbonyl-2-methyl-1-propenyl)-4-oxoazetidine-2-sulfonate Monohydrate: a New Chiral β-Lactam Synthon
• Authors of publication: Mandic, Z.; Kiralj, R.; Kojic-Prodic, B.; Kovacevic, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 988 - 991
• a: 6.097 ± 0.007 Å
• b: 6.804 ± 0.005 Å
• c: 16.92 ± 0.02 Å
• α: 90°
• β: 97.66 ± 0.06°
• γ: 90°
• Cell volume: 695.6 ± 1.3 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0431
• Goodness-of-fit parameter for significantly intense reflections: 0.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No