Information card for entry 1514368

Structure parameters

• Formula: C51 H48 O6 Si2
• Calculated formula: C51 H48 O6 Si2
• SMILES: C(c1c(=O)oc2ccccc2c1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)c1c(=O)oc2ccccc2c1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: O-tert-butyldiphenylsilyl coumarin and dicoumarol: a case toward selective sensing of F- ions in organic and aqueous environments.
• Authors of publication: Ghosh, Kumaresh; Kar, Debasis; Fröhlich, Roland; Chattopadhyay, Asoke P.; Samadder, Asmita; Khuda-Bukhsh, Anisur Rahman
• Journal of publication: The Analyst
• Year of publication: 2013
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3038 - 3045
• a: 16.849 ± 0.0006 Å
• b: 17.6362 ± 0.0006 Å
• c: 15.7254 ± 0.0006 Å
• α: 90°
• β: 114.22 ± 0.002°
• γ: 90°
• Cell volume: 4261.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No