Information card for entry 4102684

Structure parameters

• Formula: C34 H2 B F25
• Calculated formula: C34 H2 B F25
• SMILES: B1([C@@H](C(=C([C@@H]1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Dihydrogen Activation by Antiaromatic Pentaarylboroles
• Authors of publication: Cheng Fan; Lauren G. Mercier; Warren E. Piers; Heikki M. Tuononen; Masood Parvez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9604 - 9606
• a: 8.6005 ± 0.0009 Å
• b: 11.1107 ± 0.0009 Å
• c: 17.6351 ± 0.0014 Å
• α: 93.141 ± 0.005°
• β: 94.58 ± 0.005°
• γ: 111.857 ± 0.005°
• Cell volume: 1552.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No