Information card for entry 7153001

Structure parameters

• Formula: C25 H27 N
• Calculated formula: C25 H27 N
• SMILES: C(=N\C(c1ccccc1)Cc1ccccc1)(\c1ccccc1)C(C)(C)C
• Title of publication: An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.
• Authors of publication: Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 32
• Pages of publication: 5278 - 5291
• a: 8.1508 ± 0.0005 Å
• b: 17.5996 ± 0.0011 Å
• c: 28.8453 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4137.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No