Information card for entry 7021085

Structure parameters

• Formula: C26 H30 O4 S2
• Calculated formula: C26 H30 O4 S2
• Title of publication: Efficient conversion of arylene precursors into photoluminescent phosphonates for surface modification of metal oxides.
• Authors of publication: Keceli, Ezgi; Hemgesberg, Maximilian; Bay, Sarah; Wilhelm, Christian; Sun, Yu; Ernst, Stefan; Müller, Thomas J J; Thiel, Werner R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6344 - 6352
• a: 12.8645 ± 0.0003 Å
• b: 6.0509 ± 0.0001 Å
• c: 15.852 ± 0.0004 Å
• α: 90°
• β: 96.708 ± 0.002°
• γ: 90°
• Cell volume: 1225.5 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No