Information card for entry 7711390

Structure parameters

• Formula: C26 H37 B2 F2 K N2 O8
• Calculated formula: C26 H37 B2 F2 K N2 O8
• SMILES: F[B]1(F)OB(O)c2c3c1cccc3ccc2.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.CC#N.CC#N
• Title of publication: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.
• Authors of publication: Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 17.0718 ± 0.0003 Å
• b: 21.7958 ± 0.0005 Å
• c: 16.8889 ± 0.0004 Å
• α: 90°
• β: 91.0545 ± 0.0017°
• γ: 90°
• Cell volume: 6283.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections: 0.1652
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9561
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No