Information card for entry 2003562

Structure parameters

• Formula: C25 H17 Cl3 O3
• Calculated formula: C25 H17 Cl3 O3
• SMILES: ClC(Cl)(Cl)C(=O)[O-].[o+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate
• Authors of publication: Anulewicz, R.; Świrska, B.; Milart, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1180 - 1182
• a: 12.513 ± 0.002 Å
• b: 17.356 ± 0.003 Å
• c: 10.172 ± 0.002 Å
• α: 90°
• β: 102.66 ± 0.003°
• γ: 90°
• Cell volume: 2155.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections: 0.1844
• Weighted residual factors for significantly intense reflections: 0.177
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No