Information card for entry 7027835

Structure parameters

• Chemical name: bis(dimethyl-L-tartrate)diboron
• Formula: C12 H16 B2 O12
• Calculated formula: C12 H16 B2 O12
• SMILES: B1(O[C@H]([C@@H](O1)C(=O)OC)C(=O)OC)B1O[C@H]([C@@H](O1)C(=O)OC)C(=O)OC
• 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: 9.0355 ± 0.0008 Å
• b: 16.9385 ± 0.0015 Å
• c: 22.382 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3425.5 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.1119
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No