Information card for entry 7204268

Structure parameters

• Formula: C12 H10 Cr O6
• Calculated formula: C12 H10 Cr O6
• SMILES: [Cr]12345([c]6([cH]5[cH]4[cH]3[cH]2[c]16C=O)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: 6.6813 ± 0.0006 Å
• b: 13.75 ± 0.002 Å
• c: 7.4108 ± 0.0006 Å
• α: 90°
• β: 106.179 ± 0.006°
• γ: 90°
• Cell volume: 653.85 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0498
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No