Information card for entry 7105975

Structure parameters

• Formula: C57 H55 B F10 P
• Calculated formula: C57 H55 B F10 P
• Title of publication: The Frustrated Lewis Pair Induced Formation of a Pentafulvene [6+4] Cycloaddition Product
• Authors of publication: Cornelia M. Momming; Gerald Kehr; Roland Frohlich; Gerhard Erker
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2006
• a: 12.37 ± 0.0004 Å
• b: 11.038 ± 0.0003 Å
• c: 36.1547 ± 0.0011 Å
• α: 90°
• β: 90.729 ± 0.001°
• γ: 90°
• Cell volume: 4936.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No