Information card for entry 7100088

Structure parameters

• Common name: Pentamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
• Formula: C11 H14 F6 O6
• Calculated formula: C11 H14 F6 O6
• SMILES: FC(F)(F)[C@@H](O)C(=O)OCCCCCOC(=O)[C@@H](O)C(F)(F)F
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.4 ± 0.01 Å
• b: 18.79 ± 0.02 Å
• c: 5.045 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1460 ± 2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No