Information card for entry 1514749

Structure parameters

• Formula: C24 H16 B2 O3
• Calculated formula: C24 H16 B2 O3
• SMILES: c1ccc2c(c1)B(OB1c3ccccc3Oc3c1cccc3)c1c(O2)cccc1
• Title of publication: 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols
• Authors of publication: Dimitrijević, Elena; Taylor, Mark S.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3298
• a: 9.4797 ± 0.0006 Å
• b: 45.49 ± 0.003 Å
• c: 21.7415 ± 0.0013 Å
• α: 90°
• β: 92.764 ± 0.003°
• γ: 90°
• Cell volume: 9364.7 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No