Information card for entry 7100093

Structure parameters

• Common name: Nonamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
• Formula: C15 H22 F6 O6
• Calculated formula: C15 H22 F6 O6
• SMILES: FC(F)(F)[C@H](O)C(=O)OCCCCCCCCCOC(=O)[C@H](O)C(F)(F)F
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 5.3266 ± 0.0007 Å
• b: 20.331 ± 0.005 Å
• c: 16.967 ± 0.004 Å
• α: 90°
• β: 94.52 ± 0.01°
• γ: 90°
• Cell volume: 1831.8 ± 0.7 ų
• Cell temperature: 115 ± 1 K
• Ambient diffraction temperature: 115 ± 1 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No