Information card for entry 2016575

Structure parameters

• Chemical name: {η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7- trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2- yloxy}benzene}tricarbonylchromium
• Formula: C22 H26 Cr O6
• Calculated formula: C22 H26 Cr O6
• SMILES: [Cr]12345([c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)O[C@@H]1C2(OCCO2)[C@H]2CC[C@@]1(C2(C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: 1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium
• Authors of publication: Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, Nathalie M.; Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m147 - m148
• a: 7.9484 ± 0.0007 Å
• b: 13.6135 ± 0.0011 Å
• c: 9.5596 ± 0.0008 Å
• α: 90°
• β: 93.026 ± 0.003°
• γ: 90°
• Cell volume: 1032.96 ± 0.15 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes