Information card for entry 1516276

Structure parameters

• Formula: C66 H88 B2 Cl4 Co
• Calculated formula: C66 H88 B2 Cl4 Co
• 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: 11.5296 ± 0.0009 Å
• b: 13.4868 ± 0.0018 Å
• c: 14.6512 ± 0.0011 Å
• α: 112.337 ± 0.006°
• β: 111.343 ± 0.004°
• γ: 95.399 ± 0.006°
• Cell volume: 1890 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No