Information card for entry 7020739

Structure parameters

• Formula: C27 H14 B F15 O5
• Calculated formula: C28 H16 B F15 O4
• SMILES: B(O/C(=C(C)\c1c(F)c(F)c(F)c(F)c1F)OCC)(O/C(=C(C)\c1c(F)c(F)c(F)c(F)c1F)OCC)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.
• Authors of publication: Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 726 - 736
• a: 9.6725 ± 0.0005 Å
• b: 10.5484 ± 0.0005 Å
• c: 14.8047 ± 0.0007 Å
• α: 82.43 ± 0.002°
• β: 76.525 ± 0.003°
• γ: 77.604 ± 0.002°
• Cell volume: 1429.37 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No