Information card for entry 7100087

Structure parameters

• Common name: Tetramethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
• Formula: C10 H12 F6 O6
• Calculated formula: C10 H12 F6 O6
• SMILES: FC([C@@H](C(=O)OCCCCOC(=O)[C@@H](C(F)(F)F)O)O)(F)F
• Title of publication: A binary hydrogen bonding system based on homochiral recognition: Crystal structures and hydrogen bonding networks of meso-(R,S)-bis(trifluorolactate)s
• Authors of publication: Satoshi Takahashi; Toshimasa Katagiri; Kenji Uneyama
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.1113 ± 0.0008 Å
• b: 5.0864 ± 0.0003 Å
• c: 18.142 ± 0.002 Å
• α: 90°
• β: 98.398 ± 0.002°
• γ: 90°
• Cell volume: 649.17 ± 0.1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 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