Information card for entry 7213112

Structure parameters

• Chemical name: N-formyl-1,3beta,5,7alpha-tetramethylbicyclo[3.3.1]nonan-3alpha-amine ?
• Formula: C14 H25 N O
• Calculated formula: C14 H25 N O
• SMILES: O=CNC1(C[C@]2(CC(C[C@@](C1)(C2)C)C)C)C
• Title of publication: The synthesis of 3-amino-3-methylbicyclo[3.3.1]nonanes: Endo-selectivity in the Ritter reaction of 1,3,5,7α-tetramethylbicyclo[3.3.1]nonan-3-ol
• Authors of publication: Jirgensons, Aigars; Kauss, Valerjans; Mishnev, Anatolij F.; Kalvinsh, Ivars
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 3527
• a: 8.883 ± 0.002 Å
• b: 12.104 ± 0.002 Å
• c: 13.479 ± 0.003 Å
• α: 88.19 ± 0.03°
• β: 84.38 ± 0.03°
• γ: 85.53 ± 0.03°
• Cell volume: 1437.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections: 0.215
• Weighted residual factors for significantly intense reflections: 0.1832
• Goodness-of-fit parameter for all reflections: 1.114
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No