Information card for entry 2005205

Structure parameters

• Formula: C28 H38 B2 O6
• Calculated formula: C28 H38 B2 O6
• SMILES: C(=C(\B1OC(C(O1)(C)C)(C)C)c1ccc(cc1)OC)(B1OC(C(O1)(C)C)(C)C)/c1ccc(cc1)OC
• Title of publication: The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-<i>O</i>,<i>O</i>')diboron
• Authors of publication: Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1989 - 1991
• a: 20.733 ± 0.002 Å
• b: 35.97 ± 0.003 Å
• c: 14.66 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10932.9 ± 1.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.0726
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No