Information card for entry 7158234

Structure parameters

• Formula: C20 H26 N2
• Calculated formula: C20 H26 N2
• SMILES: N(=C\c1c(cc(cc1C)C)C)/NCc1c(cc(cc1C)C)C
• 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: 8.253 ± 0.0002 Å
• b: 8.2551 ± 0.0002 Å
• c: 14.7902 ± 0.0002 Å
• α: 94.559 ± 0.002°
• β: 102.195 ± 0.002°
• γ: 117.627 ± 0.003°
• Cell volume: 854.1 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No