Information card for entry 7716111

Structure parameters

• Formula: C27 H37 N2 O2 P
• Calculated formula: C27 H37 N2 O2 P
• SMILES: P1(=O)([O-])[N+](=C(C=C(N1c1c(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: 7.4666 ± 0.0003 Å
• b: 12.1844 ± 0.0003 Å
• c: 14.2288 ± 0.0005 Å
• α: 98.309 ± 0.002°
• β: 92.873 ± 0.003°
• γ: 105.787 ± 0.003°
• Cell volume: 1227.13 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No