Information card for entry 1555355

Structure parameters

• Formula: C24 H24 Br N O4
• Calculated formula: C24 H24 Br N O4
• SMILES: Brc1cc(ccc1)C[C@]1(C(=O)[C@@H]2[C@@H](N[C@H](C(=O)OCC)[C@@H]2C1=O)c1ccccc1)C
• Title of publication: Silver(I)-Ferrophox Catalyzed Enantioselective Desymmetrization of Cyclopentenedione: Synthesis of Highly Substituted Bicyclic Pyrrolidines.
• Authors of publication: Das, Tapas; Saha, Prasenjit; Singh, Vinod K.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5088 - 5091
• a: 6.6742 ± 0.0015 Å
• b: 12.874 ± 0.003 Å
• c: 25.688 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2207.2 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1257
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No