Information card for entry 1548546

Structure parameters

• Formula: C48 H61 N4 Sc Si
• Calculated formula: C48 H61 N4 Sc Si
• SMILES: [Sc]12([n]3c(=C(c4c(cc(C)cc4C)C)c4n1c(cc4C)C)c(cc3C)C)([n]1c(=C(c3n2c(C)cc3C)c2c(cc(cc2C)C)C)c(cc1C)C)C[Si](C)(C)C
• Title of publication: A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins
• Authors of publication: Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 603
• a: 15.263 ± 0.003 Å
• b: 11.695 ± 0.002 Å
• c: 25.821 ± 0.005 Å
• α: 90°
• β: 106.57 ± 0.03°
• γ: 90°
• Cell volume: 4417.7 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No