Information card for entry 7219202

Structure parameters

• Formula: C86 H146 N2 O28 Si16
• Calculated formula: C86 H146 N2 O28 Si16
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si]5(O[Si](O[Si](O2)(O4)CC(C)C)(O[Si](O[Si](O3)(O5)CC(C)C)(O1)CCCN1C(=O)c2c3c(C1=O)ccc1c4c5c(c(c31)cc2)ccc1C(=O)N(C(=O)c(c51)cc4)CCC[Si]12O[Si]3(O[Si]4(O[Si](O[Si]5(O[Si](O[Si](O[Si](O4)(O5)CC(C)C)(O3)CC(C)C)(O1)CC(C)C)CC(C)C)(O2)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C
• Title of publication: Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads
• Authors of publication: Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1453
• a: 11.3824 ± 0.0002 Å
• b: 21.8344 ± 0.0004 Å
• c: 23.7734 ± 0.0005 Å
• α: 86.5313 ± 0.0016°
• β: 81.6042 ± 0.0018°
• γ: 83.2088 ± 0.0017°
• Cell volume: 5798.4 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3009
• Residual factor for significantly intense reflections: 0.2148
• Weighted residual factors for significantly intense reflections: 0.5006
• Weighted residual factors for all reflections included in the refinement: 0.5282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No