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Information card for entry 7203132
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Coordinates | 7203132.cif |
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Original paper (by DOI) | HTML |
Common name | (S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate |
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Formula | C17.24 H27.04 F6 O6 |
Calculated formula | C15 H22 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 | 27.753 ± 0.011 Å |
b | 4.9906 ± 0.001 Å |
c | 7.992 ± 0.003 Å |
α | 90° |
β | 95.942 ± 0.005° |
γ | 90° |
Cell volume | 1101 ± 0.6 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.0525 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1437 |
Weighted residual factors for all reflections included in the refinement | 0.1481 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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