Information card for entry 7204267

Structure parameters

• Formula: C26 H24 Cr O8
• Calculated formula: C26 H24 Cr O8
• SMILES: [Cr]12345([c]6([cH]5[cH]4[cH]3[cH]2[c]16C(O)(c1ccc(cc1)OC)c1ccc(cc1)OC)OCOC)(C#[O])(C#[O])C#[O]
• Title of publication: Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis
• Authors of publication: Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3269 - 3280
• a: 12.5356 ± 0.0015 Å
• b: 12.5356 ± 0.0015 Å
• c: 13.273 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1806.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.198
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections: 0.1789
• Weighted residual factors for significantly intense reflections: 0.1245
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.271
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No