Information card for entry 7203128

Structure parameters

• Common name: (S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)
• Formula: C11 H14 F6 O6
• Calculated formula: C11 H14 F6 O6
• Title of publication: Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components
• Authors of publication: Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 132
• a: 18.816 ± 0.003 Å
• b: 5.1374 ± 0.0006 Å
• c: 7.7556 ± 0.001 Å
• α: 90°
• β: 96.202 ± 0.002°
• γ: 90°
• Cell volume: 745.31 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No