Information card for entry 7123233

Structure parameters

• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• SMILES: N(/N=C(/c1ccccc1)C)=C(\c1ccccc1)C
• Title of publication: Ruthenium(ii)-catalysed direct synthesis of ketazines using secondary alcohols
• Authors of publication: Kishore, Jugal; Thiyagarajan, Subramanian; Gunanathan, Chidambaram
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.6991 ± 0.0002 Å
• b: 7.5524 ± 0.00018 Å
• c: 14.8701 ± 0.0003 Å
• α: 90°
• β: 97.7197 ± 0.0016°
• γ: 90°
• Cell volume: 1301.96 ± 0.05 ų
• Cell temperature: 294.5 ± 0.3 K
• Ambient diffraction temperature: 294.5 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No