Information card for entry 4070908

Structure parameters

• Formula: C28 H34 Cr O4 Si
• Calculated formula: C28 H34 Cr O4 Si
• SMILES: [Cr]12345([c]6([cH]5[cH]4[c]3([Si](C)(C)C)[cH]2[cH]16)O[C@@]1(c2ccccc2)[C@@]2(CC[C@H](C1)C2(C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality
• Authors of publication: Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 900
• a: 10.7012 ± 0.0014 Å
• b: 10.8019 ± 0.0014 Å
• c: 22.171 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2562.8 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No