Information card for entry 7204254

Structure parameters

• Formula: C10 H17 N O
• Calculated formula: C10 H17 N O
• SMILES: O[C@@H]1[C@H](N2[C@@H](C1)CCC2)CC=C.O[C@H]1[C@@H](N2[C@H](C1)CCC2)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: 8.536 ± 0.002 Å
• b: 11.15 ± 0.003 Å
• c: 10.547 ± 0.002 Å
• α: 90°
• β: 105.4 ± 0.02°
• γ: 90°
• Cell volume: 967.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No