Information card for entry 7155467

Structure parameters

• Formula: C19 H16 Br N O5
• Calculated formula: C19 H16 Br N O5
• SMILES: Brc1cc2C(=O)[C@](N(=O)=O)(C)[C@@H]([C@@H](c2cc1)C(=O)OC)c1ccccc1
• Title of publication: Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.
• Authors of publication: Manoni, Francesco; Farid, Umar; Trujillo, Cristina; Connon, Stephen J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1463 - 1474
• a: 10.415 ± 0.002 Å
• b: 11.469 ± 0.002 Å
• c: 15.047 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No