Information card for entry 1553704

Structure parameters

• Formula: C48 H42 O4 Si2
• Calculated formula: C48 H42 O4 Si2
• SMILES: c1(ccccc1)C(=O)c1cc(c(C(=O)c2ccccc2)cc1OC[Si](C)(c1ccccc1)c1ccccc1)OC[Si](C)(c1ccccc1)c1ccccc1
• Title of publication: Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores
• Authors of publication: Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 347
• a: 11.7637 ± 0.0012 Å
• b: 12.6947 ± 0.0014 Å
• c: 13.4413 ± 0.0014 Å
• α: 90°
• β: 92.205 ± 0.002°
• γ: 90°
• Cell volume: 2005.8 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No