Information card for entry 1566794

Structure parameters

• Formula: C14 H12 F6 O
• Calculated formula: C14 H12 F6 O
• SMILES: C1(=C([C@@]2([C@]1([C@@]1([C@]2([C@H]2CC[C@@H]3[C@H](CC[C@H]12)O3)F)F)F)F)F)F
• Title of publication: Depolymerizable semi-fluorinated polymers for sustainable functional materials
• Authors of publication: Sathe, Devavrat; Zhou, Junfeng; Chen, Hanlin; Schrage, Briana R.; Yoon, Seiyoung; Wang, Zeyu; Ziegler, Christopher J.; Wang, Junpeng
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 2608 - 2614
• a: 5.8199 ± 0.0008 Å
• b: 11.7062 ± 0.0014 Å
• c: 18.082 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1231.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No