Information card for entry 7716105

Structure parameters

• Formula: C27 H38 N2
• Calculated formula: C27 H38 N2
• SMILES: N(/C(=C\C(=N\c1c(cc(cc1C)C)C)C(C)C)C(C)C)c1c(cc(cc1C)C)C
• Title of publication: Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.
• Authors of publication: Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9887 - 9895
• a: 10.2164 ± 0.0005 Å
• b: 10.7791 ± 0.0005 Å
• c: 13.0555 ± 0.0005 Å
• α: 67.311 ± 0.004°
• β: 70.582 ± 0.004°
• γ: 79.542 ± 0.004°
• Cell volume: 1248.66 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1295
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No