Information card for entry 7204255

Structure parameters

• Formula: C11 H19 N O
• Calculated formula: C11 H19 N O
• SMILES: N12[C@H]([C@@H](O)C[C@H]1CCCC2)CC=C.N12[C@@H]([C@H](O)C[C@@H]1CCCC2)CC=C
• Title of publication: Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines
• Authors of publication: J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3325 - 3337
• a: 18.996 ± 0.002 Å
• b: 8.413 ± 0.003 Å
• c: 6.982 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1115.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No