Information card for entry 1503382

Structure parameters

• Formula: C7 H10 N2 O4
• Calculated formula: C7 H10 N2 O4
• SMILES: O=C1N[C@@H](C[C@@H]2[C@@]1(N(=O)=O)C2)CO.O=C1N[C@H](C[C@H]2[C@]1(N(=O)=O)C2)CO
• Title of publication: Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.
• Authors of publication: Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 672 - 675
• a: 15.0235 ± 0.0006 Å
• b: 7.429 ± 0.0003 Å
• c: 15.0658 ± 0.0005 Å
• α: 90°
• β: 97.107 ± 0.002°
• γ: 90°
• Cell volume: 1668.57 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No