Information card for entry 7123235

Structure parameters

• Formula: C48 H40 N4
• Calculated formula: C48 H40 N4
• 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: 18.8305 ± 0.0005 Å
• b: 5.3157 ± 0.00013 Å
• c: 9.2092 ± 0.0002 Å
• α: 90°
• β: 100.656 ± 0.003°
• γ: 90°
• Cell volume: 905.92 ± 0.04 ų
• Cell temperature: 298.21 ± 0.1 K
• Ambient diffraction temperature: 298.21 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No