Information card for entry 7204256

Structure parameters

• Formula: C11 H19 N O
• Calculated formula: C11 H19 N O
• SMILES: N12[C@H]([C@@H](O)CC[C@H]1CCC2)CC=C.N12[C@@H]([C@H](O)CC[C@@H]1CCC2)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: 7.554 ± 0.004 Å
• b: 7.161 ± 0.003 Å
• c: 19.49 ± 0.02 Å
• α: 90°
• β: 100.12 ± 0.08°
• γ: 90°
• Cell volume: 1037.9 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No