Information card for entry 1546947

Structure parameters

• Formula: C44 H38 Si
• Calculated formula: C44 H38 Si
• SMILES: [Si]1(C(=C(C(=C1c1cccc(c1)C)c1cccc(c1)C)c1cccc(c1)C)c1cccc(c1)C)(c1ccccc1)c1ccccc1
• Title of publication: Blue-Shifted Aggregation-Induced Emission of Siloles by Simple Structural Modification and Their Application as Nitro Explosive Chemosensor
• Authors of publication: Lee, Jiwon; Park, Yoona; Jung, Joori; Han, Won-Sik
• Journal of publication: Photochem. Photobiol. Sci.
• Year of publication: 2017
• a: 8.6135 ± 0.0007 Å
• b: 10.2226 ± 0.0008 Å
• c: 19.2641 ± 0.0015 Å
• α: 90°
• β: 93.739 ± 0.002°
• γ: 90°
• Cell volume: 1692.6 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No