Information card for entry 4101421

Structure parameters

• Common name: 1-dimesitylfluoroborate- 8-trimethylammoniummethane-naphthalenediyl
• Formula: C32 H39 B F N
• Calculated formula: C32 H39 B F N
• SMILES: F[B-](c2cccc3cccc(c23)C[N+](C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Fluoride ion capture from water with a cationic borane.
• Authors of publication: Chiu, Ching-Wen; Gabbaï, François P
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 44
• Pages of publication: 14248 - 14249
• a: 8.4633 ± 0.001 Å
• b: 17.444 ± 0.002 Å
• c: 17.727 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No