Information card for entry 4117225

Structure parameters

• Formula: C28 H38 Cr O7
• Calculated formula: C28 H38 Cr O7
• SMILES: [Cr](=C(O[C@@H]1[C@H](CC[C@@H](C1)C)C(C)C)C1=CC=C([C@@H]([C@H]1C(C)(C)C)C)OC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Asymmetric Conjugate Nucleophilic Addition of Organolithiums to Chromium (Menthyloxy)(aryl)carbene Complexes
• Authors of publication: José Barluenga; Andrés A. Trabanco; Josefa Flórez; Santiago García-Granda; Eduardo Martín
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 13099 - 13100
• a: 11.976 ± 0.005 Å
• b: 14.584 ± 0.004 Å
• c: 16.913 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2954 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.0725
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No