Information card for entry 7222168

Structure parameters

• Chemical name: racemic CF4
• Formula: C14 H12 F14 N2 O2
• Calculated formula: C14 H12 F14 N2 O2
• SMILES: FC(F)(C(=O)N[C@H]1[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)C(F)(F)C(F)(F)F.FC(F)(C(=O)N[C@@H]1[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)C(F)(F)C(F)(F)F
• Title of publication: Perfluorinated Gelators for Solidifying Fluorous Solvents：Effects of Chain Length and Molecular Chirality
• Authors of publication: Yajima, Tomoko; Tabuchi, Erika; Nogami, Emiko; Yamagishi, Akihiko; Sato, Hisako
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 18.5495 ± 0.0014 Å
• b: 21.0121 ± 0.0016 Å
• c: 9.57 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3730 ± 0.5 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0572
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No