Information card for entry 4031041

Structure parameters

• Formula: C36 H46 N2
• Calculated formula: C36 H46 N2
• SMILES: N(=C(C(c1ccccc1)c1ccccc1)\C1(CCCCC1)/C=N/c1c(cccc1C(C)C)C(C)C)/C(C)C
• Title of publication: Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.
• Authors of publication: Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 6062 - 6075
• a: 9.8962 ± 0.0002 Å
• b: 12.3956 ± 0.0002 Å
• c: 14.3686 ± 0.0003 Å
• α: 103.711 ± 0.001°
• β: 104.868 ± 0.001°
• γ: 107.407 ± 0.001°
• Cell volume: 1528.58 ± 0.05 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0638
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No