Information card for entry 4024251

Structure parameters

• Formula: C23 H22 N2
• Calculated formula: C23 H22 N2
• SMILES: N1([C@H]2N(CCc3c2cccc3)c2ccccc2C1)Cc1ccccc1
• Title of publication: Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process
• Authors of publication: Chen Zhang; Sandip Murarka; Daniel Seidel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 419 - 422
• a: 10.7489 ± 0.0008 Å
• b: 5.085 ± 0.0004 Å
• c: 15.8645 ± 0.0012 Å
• α: 90°
• β: 103.529 ± 0.002°
• γ: 90°
• Cell volume: 843.06 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No