Information card for entry 1516273

Structure parameters

• Formula: C76 H118 B2 K2 O8
• Calculated formula: C76 H118 B2 K2 O8
• Title of publication: Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole
• Authors of publication: Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 3189
• a: 16.1537 ± 0.0003 Å
• b: 19.955 ± 0.0004 Å
• c: 22.8279 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7358.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No