Information card for entry 7213340

Structure parameters

• Formula: C18 H29 Br2 N O2
• Calculated formula: C18 H29 Br2 N O2
• SMILES: BrC1(Br)[C@H]2CC(C[C@@H]12)CNC(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates
• Authors of publication: Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2175
• a: 7.08 ± 0.003 Å
• b: 9.637 ± 0.001 Å
• c: 29.064 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983 ± 0.9 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 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: 0.036
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections: 2.48
• Goodness-of-fit parameter for all reflections included in the refinement: 2.562
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No