Information card for entry 4024249

Structure parameters

• Formula: C23 H30 N2
• Calculated formula: C23 H30 N2
• SMILES: N1(Cc2ccccc2N2CCCC12)c1c(cccc1C(C)C)C(C)C
• 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: 8.915 ± 0.0005 Å
• b: 9.0415 ± 0.0005 Å
• c: 13.2976 ± 0.0007 Å
• α: 85.139 ± 0.001°
• β: 72.634 ± 0.001°
• γ: 65.228 ± 0.001°
• Cell volume: 927.86 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1308
• 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