Information card for entry 1554167

Structure parameters

• Formula: C30 H36 Fe2 O4 Si
• Calculated formula: C30 H36 Fe2 O4 Si
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si]([c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)(OC(=C(C)C)OC)OC(=C(C)C)OC)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Controlled or High-Speed Group Transfer Polymerization by Silyl Ketene Acetals without Catalyst
• Authors of publication: Chen, Jiawei; Gowda, Ravikumar R.; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.
• Journal of publication: Macromolecules
• Year of publication: 2016
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 8075
• a: 13.7997 ± 0.0005 Å
• b: 10.1592 ± 0.0004 Å
• c: 19.6502 ± 0.0007 Å
• α: 90°
• β: 93.2918 ± 0.0017°
• γ: 90°
• Cell volume: 2750.29 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No