Information card for entry 7247500

Structure parameters

• Formula: C48 H36 O2 Si2
• Calculated formula: C48 H36 O2 Si2
• SMILES: [SiH2]1c2c(COc3c(c4c(cc3)cccc4)c3c4c(ccc3OCc3c([SiH2]c5c6c(c1c1c5cccc1)cccc6)cccc3)cccc4)cccc2
• Title of publication: Probing local structure of glass with orientation-dependent luminescence.
• Authors of publication: Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 41
• Pages of publication: 28113 - 28118
• a: 11.2799 ± 0.0005 Å
• b: 17.2391 ± 0.0008 Å
• c: 18.9684 ± 0.0007 Å
• α: 90°
• β: 102.339 ± 0.001°
• γ: 90°
• Cell volume: 3603.3 ± 0.3 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0412
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0344
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No