Information card for entry 2209867

Structure parameters

• Chemical name: 3-Benzyl-2,4,6-triphenylpyrylium tetrafluoroborate
• Formula: C30 H23 B F4 O
• Calculated formula: C30 H23 B F4 O
• SMILES: [B](F)(F)(F)[F-].[o+]1c(cc(c(c1c1ccccc1)Cc1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 3-Benzyl-2,4,6-triphenylpyrylium tetrafluoroborate
• Authors of publication: Jara, Francisco; Domínguez, Moisés; Rezende, Marcos C.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3495 - o3497
• a: 10.617 ± 0.0003 Å
• b: 13.2065 ± 0.0003 Å
• c: 17.1985 ± 0.0005 Å
• α: 90°
• β: 102.784 ± 0.001°
• γ: 90°
• Cell volume: 2351.68 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes