Information card for entry 1505133

Structure parameters

• Formula: C16 H10 F5 I O4
• Calculated formula: C16 H9 F5 I O4
• SMILES: C([C@@H](COc1c(c(c(c(c1F)F)F)F)F)O)OC(=O)c1ccc(cc1)I
• Title of publication: Regioregular Polymerization of Fluorine-Containing Epoxides
• Authors of publication: Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 6136
• a: 5.32 ± 0.008 Å
• b: 8.24 ± 0.012 Å
• c: 18.92 ± 0.03 Å
• α: 90 ± 0.006°
• β: 96.93 ± 0.007°
• γ: 90 ± 0.006°
• Cell volume: 823 ± 2 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No