Information card for entry 4110660

Structure parameters

• Formula: C13 H15 N
• Calculated formula: C13 H15 N
• SMILES: N1([C@@H]2CC[C@H]1C=CC2)c1ccccc1.N1([C@H]2CC[C@@H]1C=CC2)c1ccccc1
• Title of publication: Tropene Derivatives by Sequential Intermolecular and Transannular, Intramolecular Palladium-Catalyzed Hydroamination of Cycloheptatriene
• Authors of publication: Norio Sakai; André Ridder; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8134 - 8135
• a: 9.1032 ± 0.0018 Å
• b: 14.528 ± 0.003 Å
• c: 15.888 ± 0.003 Å
• α: 90°
• β: 102.46 ± 0.03°
• γ: 90°
• Cell volume: 2051.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.191
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No