Information card for entry 1547085

Structure parameters

• Formula: C52 H50 N2 O4 Si
• Calculated formula: C52 H50 N2 O4 Si
• SMILES: [Si]1(c2cc3C(=O)N(c4c(cccc4C(C)C)C(C)C)C(=O)c4ccc5c6ccc7c8c(cc1c(c2c5c34)c68)C(=O)N(C7=O)c1c(cccc1C(C)C)C(C)C)(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: 20.8 ± 0.005 Å
• b: 13.066 ± 0.003 Å
• c: 16.207 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4404.6 ± 1.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No