Information card for entry 7100090

Structure parameters

• Common name: Heptamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
• Formula: C13 H18 F6 O6
• Calculated formula: C13 H18 F6 O6
• SMILES: C(C(C(=O)OCCCCCCCOC(=O)C(C(F)(F)F)O)O)(F)(F)F
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.613 ± 0.003 Å
• b: 21.793 ± 0.004 Å
• c: 5.0901 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1731 ± 1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No