Information card for entry 1563677

Structure parameters

• Formula: C19 H33 F5
• Calculated formula: C19 H33 F5
• SMILES: F[C@@H]1[C@H]([C@H](F)[C@H](F)[C@H](F)[C@@H]1F)CCCCCCCCCCCCC
• Title of publication: Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs
• Authors of publication: Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 5.64684 ± 0.00018 Å
• b: 5.62268 ± 0.00014 Å
• c: 30.1035 ± 0.0011 Å
• α: 90°
• β: 95.117 ± 0.003°
• γ: 90°
• Cell volume: 951.99 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No