Information card for entry 7101218

Structure parameters

• Formula: C20 H17 Br O
• Calculated formula: C20 H17 Br O
• SMILES: Brc1ccc([C@@H]2CC(=O)[C@H]3[C@@]2(c2ccccc2C3=C)C)cc1
• Title of publication: Asymmetric [3+2] Annulations Catalyzed by a Planar-Chiral Derivative of DMAP
• Authors of publication: G. C. W. Fu; E. Bappert; Peter Muller
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 24
• a: 7.2277 ± 0.0014 Å
• b: 14.583 ± 0.003 Å
• c: 15.656 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No