Information card for entry 1547087

Structure parameters

• Formula: C36 H20 F14 N2 O4 Si
• Calculated formula: C36 H20 F14 N2 O4 Si
• SMILES: [Si]1(c2cc3C(=O)N(C(=O)c4ccc5c6ccc7C(=O)N(C(=O)c8cc1c(c2c5c34)c6c78)CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)(CC)CC
• Title of publication: Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.
• Authors of publication: Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 4331 - 4334
• a: 16.491 ± 0.011 Å
• b: 16.508 ± 0.011 Å
• c: 13.19 ± 0.009 Å
• α: 90°
• β: 102.583 ± 0.013°
• γ: 90°
• Cell volume: 3505 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1609
• Residual factor for significantly intense reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No