Information card for entry 4025211

Structure parameters

• Common name: dm-15f
• Chemical name: 2-oxabiciclo[3,2,0]heptano
• Formula: C10 H15 N O4
• Calculated formula: C10 H15 N O4
• SMILES: N(C(=O)C)[C@]1(C(=O)OC)[C@H]2OCC[C@H]2C1.N(C(=O)C)[C@@]1(C(=O)OC)[C@@H]2OCC[C@@H]2C1
• Title of publication: Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane
• Authors of publication: Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 545 - 552
• a: 11.828 ± 0.0005 Å
• b: 8.994 ± 0.0003 Å
• c: 10.1781 ± 0.0003 Å
• α: 90°
• β: 105.906 ± 0.0015°
• γ: 90°
• Cell volume: 1041.3 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No