Information card for entry 1503381

Structure parameters

• Formula: C15 H12 N2 O6
• Calculated formula: C15 H12 N2 O6
• SMILES: O1C(=O)[C@@]2([C@H](C[C@@H](C1)N1C(=O)c3ccccc3C1=O)C2)N(=O)=O.O1C(=O)[C@]2([C@@H](C[C@H](C1)N1C(=O)c3ccccc3C1=O)C2)N(=O)=O
• 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: 14.9683 ± 0.0005 Å
• b: 11.3211 ± 0.0004 Å
• c: 8.1328 ± 0.0003 Å
• α: 90°
• β: 96.892 ± 0.002°
• γ: 90°
• Cell volume: 1368.21 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No