Information card for entry 7158232

Structure parameters

• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• SMILES: O(c1ccc(/C=N/NCc2ccc(OCC)cc2)cc1)CC
• Title of publication: Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.
• Authors of publication: Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 33
• Pages of publication: 7147 - 7151
• a: 6.2951 ± 0.0002 Å
• b: 7.8493 ± 0.0003 Å
• c: 16.3441 ± 0.0005 Å
• α: 80.613 ± 0.003°
• β: 85.44 ± 0.003°
• γ: 89.52 ± 0.003°
• Cell volume: 794.25 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No