Information card for entry 7204265

Structure parameters

• Formula: C9 H11 B O4
• Calculated formula: C9 H11 B O4
• SMILES: OB1OCc2cc(cc(c12)OC)OC
• 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: 5.666 ± 0.002 Å
• b: 8.4652 ± 0.001 Å
• c: 10.4672 ± 0.0009 Å
• α: 109.348 ± 0.007°
• β: 98.654 ± 0.014°
• γ: 95.745 ± 0.012°
• Cell volume: 462.21 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1153
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No