Information card for entry 7027837

Structure parameters

• Chemical name: bis(1,2-diphenylethane-1,2-diol)diboron
• Formula: C28 H24 B2 O4
• Calculated formula: C28 H24 B2 O4
• SMILES: B1(B2O[C@H](c3ccccc3)[C@H](O2)c2ccccc2)O[C@@H]([C@H](O1)c1ccccc1)c1ccccc1
• Title of publication: Platinum-catalysed 1,4-diboration of 1,3-dienes
• Authors of publication: Clegg, William; Johann, Thorsten R. F.; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Peakman, Torren M.; Quayle, Michael J.; Rice, Craig R.; Scott, Andrew J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 9
• Pages of publication: 1431
• a: 12.731 ± 0.002 Å
• b: 12.731 ± 0.002 Å
• c: 14.653 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2374.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.0888
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No