Information card for entry 7155455

Structure parameters

• Formula: C26 H22 N2
• Calculated formula: C26 H22 N2
• SMILES: n1cc(ccc1)/C(=N/C(c1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.
• Authors of publication: González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1484 - 1494
• a: 19.746 ± 0.008 Å
• b: 11.173 ± 0.004 Å
• c: 9.393 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No