Information card for entry 4067143

Structure parameters

• Chemical name: 2,4,6-mesityl-DAB + 1 equiv MeLi, 15*Et2O, G2067.cif
• Formula: C26 H37 Li N2 O
• Calculated formula: C26 H37 Li N2 O
• SMILES: [N](C2=C)([Li]([N](=[C]2C)c1c(cc(cc1C)C)C)[O](CC)CC)c1c(cc(cc1C)C)C
• Title of publication: Sterically Hindered Diazabutadienes (DABs): Competing Reaction Pathways with MeLi
• Authors of publication: Bhadbhade, Mohan; Clentsmith, Guy K. B.; Field, Leslie D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6509
• a: 16.436 ± 0.003 Å
• b: 8.7758 ± 0.0017 Å
• c: 17.154 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2474.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No