Information card for entry 7100089

Structure parameters

• Common name: Hexamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
• Formula: C12 H16 F6 O6
• Calculated formula: C12 H16 F6 O6
• SMILES: FC([C@H](C(=O)OCCCCCCOC(=O)[C@H](C(F)(F)F)O)O)(F)F
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 19.891 ± 0.002 Å
• b: 5.1138 ± 0.0002 Å
• c: 15.605 ± 0.001 Å
• α: 90°
• β: 100.918 ± 0.001°
• γ: 90°
• Cell volume: 1558.6 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No