Information card for entry 2023327

Structure parameters

• Chemical name: 1,3,3,4,4,5,5-Heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene
• Formula: C20 H9 F21 O3
• Calculated formula: C20 H9 F21 O3
• SMILES: FC1=C(OCC(COC2=C(F)C(F)(F)C(F)(F)C2(F)F)(COC2=C(F)C(F)(F)C(F)(F)C2(F)F)C)C(F)(F)C(F)(F)C1(F)F
• Title of publication: Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene
• Authors of publication: Peloquin, Andrew J.; Balaich, Gary J.; Jennings, Abby R.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 7.0271 ± 0.0001 Å
• b: 19.2243 ± 0.0001 Å
• c: 17.7558 ± 0.0001 Å
• α: 90°
• β: 97.332 ± 0.001°
• γ: 90°
• Cell volume: 2379.04 ± 0.04 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 4
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0712
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No