Information card for entry 7247499

Structure parameters

• Formula: C40 H32 O2 Si2
• Calculated formula: C40 H32 O2 Si2
• SMILES: [SiH2]1c2c3c(c([SiH2]c4c(COc5c(c6c(OCc7c1cccc7)cccc6)cccc5)cccc4)c1c2cccc1)cccc3
• 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: 10.4534 ± 0.0001 Å
• b: 12.101 ± 0.0001 Å
• c: 13.6441 ± 0.0001 Å
• α: 110.811 ± 0.001°
• β: 104.524 ± 0.001°
• γ: 95.283 ± 0.001°
• Cell volume: 1530.15 ± 0.03 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0412
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No