Information card for entry 2005455

Structure parameters

• Chemical name: (μ~2~-pinacolato-O,O')-bis(pinacolato-O,O')-diboron
• Formula: C18 H36 B2 O6
• Calculated formula: C18 H36 B2 O6
• SMILES: CC(C(OB1OC(C(O1)(C)C)(C)C)(C)C)(OB1OC(C(O1)(C)C)(C)C)C
• Title of publication: (μ~2~-Pinacolato-<i>O</i>,<i>O</i>')-bis(pinacolato-<i>O</i>,<i>O</i>')diboron
• Authors of publication: Clegg, W.; Scott, A. J.; Dai, C.; Lesley, G.; Marder, T. B.; Norman, N. C.; Farrugia, L. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2545 - 2547
• a: 10.6038 ± 0.0011 Å
• b: 10.4252 ± 0.0011 Å
• c: 10.8255 ± 0.0012 Å
• α: 90°
• β: 118.675 ± 0.002°
• γ: 90°
• Cell volume: 1050 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.0983
• Goodness-of-fit parameter for all reflections: 1.133
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No