Information card for entry 7204266

Structure parameters

• Formula: C24 H20 Cr O6
• Calculated formula: C24 H20 Cr O6
• SMILES: [Cr]12345([c]6([cH]5[cH]4[cH]3[cH]2[c]16C(O)(c1ccccc1)c1ccccc1)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: 10.8222 ± 0.0014 Å
• b: 11.509 ± 0.002 Å
• c: 17.707 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.5 ± 0.5 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: 0.0442
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0899
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No