Information card for entry 7119137

Structure parameters

• Formula: C33 H49 Li2 O3
• Calculated formula: C33 H49 Li2 O3
• Title of publication: alpha-CC agostic structures and aggregation diversity in cyclopropyllithium derivatives
• Authors of publication: Quentin Dufrois; Laure Vendier; Michel Etienne
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6781
• a: 8.5802 ± 0.0005 Å
• b: 9.438 ± 0.0005 Å
• c: 20.2265 ± 0.0011 Å
• α: 80.998 ± 0.002°
• β: 82.494 ± 0.002°
• γ: 70.198 ± 0.002°
• Cell volume: 1516.79 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No