Information card for entry 2012769

Structure parameters

• Common name: a precursor of a β-lactamase inhibitor
• Chemical name: allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1- azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate
• Formula: C17 H21 N O4
• Calculated formula: C17 H21 N O4
• Title of publication: Precursor of a β-lactamase inhibitor: allyl (4<i>S</i>,8<i>S</i>,9<i>R</i>)-10-[(<i>E</i>)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate
• Authors of publication: Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o367 - o369
• a: 7.681 ± 0.0002 Å
• b: 14.461 ± 0.0003 Å
• c: 14.619 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1623.8 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes