Information card for entry 4110990

Structure parameters

• Formula: C30 H24 Br3 N O5
• Calculated formula: C30 H24 Br3 N O5
• SMILES: Brc1ccc(C(=O)OC[C@H]2[C@H]3N(C(=O)C(=C(\c4ccc(Br)cc4)OC(=O)c4ccc(Br)cc4)\CC3)CC2)cc1
• Title of publication: Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes
• Authors of publication: Weston R. Judd; Sooho Ban; Jeffrey Aubé
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13736 - 13741
• a: 7.1855 ± 0.001 Å
• b: 14.852 ± 0.002 Å
• c: 25.812 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2754.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No