Information card for entry 1503380

Structure parameters

• Formula: C15 H12 N2 O6
• Calculated formula: C15 H12 N2 O6
• SMILES: O=C1OC[C@H](N2C(=O)c3ccccc3C2=O)C[C@H]2[C@]1(N(=O)=O)C2.O=C1OC[C@@H](N2C(=O)c3ccccc3C2=O)C[C@@H]2[C@@]1(N(=O)=O)C2
• 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: 6.6993 ± 0.0002 Å
• b: 8.1796 ± 0.0002 Å
• c: 13.0249 ± 0.0004 Å
• α: 76.378 ± 0.001°
• β: 78.068 ± 0.001°
• γ: 80.066 ± 0.002°
• Cell volume: 672.89 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No