Information card for entry 1560102

Structure parameters

• Formula: C26 H21 B F4 O
• Calculated formula: C26 H21 B F4 O
• SMILES: [B](F)(F)(F)[F-].Oc1ccc2ccccc2c1[C+]1c2ccccc2C(c2ccccc12)(C)C
• Title of publication: o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions
• Authors of publication: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2778 - 2783
• a: 7.4982 ± 0.0001 Å
• b: 19.0172 ± 0.0004 Å
• c: 14.6488 ± 0.0003 Å
• α: 90°
• β: 99.675 ± 0.007°
• γ: 90°
• Cell volume: 2059.13 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No