Information card for entry 4024250

Structure parameters

• Formula: C22 H20 N2
• Calculated formula: C22 H20 N2
• SMILES: N12C(N(Cc3c1cccc3)c1ccccc1)c1ccccc1CC2
• 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: 17.9781 ± 0.0014 Å
• b: 15.641 ± 0.0012 Å
• c: 5.618 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1579.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No