Information card for entry 4106387

Structure parameters

• Formula: C23 H23 N
• Calculated formula: C23 H23 N
• SMILES: c1ccccc1CC1c2ccccc2CN(C1)Cc1ccccc1
• Title of publication: sp3 C-H Bond Activation with Ruthenium(II) Catalysts and C(3)-Alkylation of Cyclic Amines
• Authors of publication: Basker Sundararaju; Mathieu Achard; Gangavaram V. M. Sharma; Christian Bruneau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10340 - 10343
• a: 6.926 ± 0.0002 Å
• b: 20.9628 ± 0.001 Å
• c: 24.1363 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3504.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No