Information card for entry 7030997

Structure parameters

• Formula: C19 H7 B F10 O
• Calculated formula: C19 H7 B F10 O
• SMILES: O(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)Cc1ccccc1
• Title of publication: Formation of a dihydroborole by catalytic isomerization of a divinylborane.
• Authors of publication: Adler Yañez, Raúl A; Kehr, Gerald; Daniliuc, Constantin G.; Schirmer, Birgitta; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10794 - 10800
• a: 7.5636 ± 0.0002 Å
• b: 11.1442 ± 0.0005 Å
• c: 11.352 ± 0.0006 Å
• α: 117.035 ± 0.003°
• β: 93.834 ± 0.003°
• γ: 95.053 ± 0.002°
• Cell volume: 842.81 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No