Information card for entry 7027838

Structure parameters

• Chemical name: bis(1,1'-bi-2-napthol)diboron
• Formula: C47 H32 B2 O4
• Calculated formula: C47 H32 B2 O4
• SMILES: O1B2Oc3c(c4c(OB2Oc2c(c5c1ccc1c5cccc1)c1c(cc2)cccc1)ccc1c4cccc1)c1c(cc3)cccc1.c1ccccc1C
• 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: 14.063 ± 0.002 Å
• b: 10.8214 ± 0.0011 Å
• c: 24.853 ± 0.005 Å
• α: 90°
• β: 105.194 ± 0.01°
• γ: 90°
• Cell volume: 3650 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0918
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections: 0.1543
• Weighted residual factors for significantly intense reflections: 0.1344
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No