Information card for entry 1547088

Structure parameters

• Formula: C70 H74 N2 O4 Si2
• Calculated formula: C70 H74 N2 O4 Si2
• SMILES: [Si]1(c2cc3C(=O)N(C(=O)c4cc5[Si](c6cc7C(=O)N(C(=O)c8cc1c1c2c(c5c6c1c78)c34)c1c(C(C)C)cccc1C(C)C)(CC)CC)c1c(cccc1C(C)C)C(C)C)(CC)CC.c1(ccccc1)C.c1ccc(cc1)C
• 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: 12.123 ± 0.002 Å
• b: 15.118 ± 0.003 Å
• c: 18.055 ± 0.004 Å
• α: 67.88 ± 0.03°
• β: 82.56 ± 0.03°
• γ: 70.67 ± 0.03°
• Cell volume: 2892.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1139
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No