Information card for entry 4117095

Structure parameters

• Common name: 97139
• Formula: C22 H25 Cl O12
• Calculated formula: C22 H25 Cl O12
• SMILES: O=C1c2c3OCCOCCOCCOCCOc4c1c(ccc4)C(=O)c2ccc3.Cl(=O)(=O)(=O)[O-].[OH3+]
• Title of publication: A Luminescent Sensor Responsive to Common Oxoacids: X-ray Crystal Structure of [H3O.1,8- Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione]ClO4
• Authors of publication: Victor G. Young; Heidi L. Quiring; Andrew G. Sykes
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 12477 - 12480
• a: 11.5996 ± 0.0002 Å
• b: 7.0079 ± 0.0002 Å
• c: 28.4827 ± 0.0006 Å
• α: 90°
• β: 98.176 ± 0.001°
• γ: 90°
• Cell volume: 2291.79 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.1244
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No