Information card for entry 4066728

Structure parameters

• Formula: C16 H24 N2 O2
• Calculated formula: C16 H24 N2 O2
• SMILES: C(=O)(C(C)(C)C)Nc1ccccc1NC(=O)C(C)(C)C
• Title of publication: Synthesis and Structural Characterization of a Novel Aluminum Amidato Derivative Exhibiting a Rare 16-Membered Wheel Containing Four Aluminum Centers
• Authors of publication: Tabernero, Vanessa; Mosquera, Marta E. G.; Cuenca, Tomás
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3642
• a: 9.1061 ± 0.0018 Å
• b: 17.833 ± 0.002 Å
• c: 9.8945 ± 0.0008 Å
• α: 90°
• β: 107.239 ± 0.012°
• γ: 90°
• Cell volume: 1534.6 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No