Information card for entry 2010070

Structure parameters

• Chemical name: 1-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-3-methoxy-4-(E)-styrylazetidin-2-one
• Formula: C27 H37 N O6 S2
• Calculated formula: C29 H39 N O7 S2
• Title of publication: Three 1,3,4-trisubstituted β-lactam antibiotics
• Authors of publication: Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1474 - 1480
• a: 9.038 ± 0.004 Å
• b: 9.488 ± 0.004 Å
• c: 10.443 ± 0.006 Å
• α: 92.07 ± 0.03°
• β: 109.45 ± 0.03°
• γ: 120.31 ± 0.04°
• Cell volume: 705.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 0.9
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No