Information card for entry 7213338

Structure parameters

• Formula: C19 H30 Br N O2
• Calculated formula: C19 H30 Br N O2
• SMILES: BrC1=CC[C@@H]2C[C@H]1N(C(=O)O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)CC2
• 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: 8.4008 ± 0.0005 Å
• b: 9.9077 ± 0.0006 Å
• c: 11.8739 ± 0.0008 Å
• α: 90°
• β: 97.278 ± 0.004°
• γ: 90°
• Cell volume: 980.33 ± 0.11 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections: 1.179
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No