Information card for entry 7153003

Structure parameters

• Formula: C25 H26 F N
• Calculated formula: C25 H26 F N
• SMILES: C(=N\C(c1ccccc1)Cc1ccccc1)(c1cc(F)ccc1)/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: 14.282 ± 0.002 Å
• b: 13.625 ± 0.002 Å
• c: 11.116 ± 0.002 Å
• α: 90°
• β: 98.879 ± 0.003°
• γ: 90°
• Cell volume: 2137.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No