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Information card for entry 7238134
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Coordinates | 7238134.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | L-Valyl-L-serine trifluoroethanol solvate |
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Chemical name | L-Valyl-L-serine trifluoroethanol solvate |
Formula | C8.55 H15.94 N2 O4.08 |
Calculated formula | C8.56233 H15.9407 N2 O4.086 |
Title of publication | Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate |
Authors of publication | Görbitz, Carl Henrik |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 111 |
Pages of publication | 670 |
a | 14.0999 ± 0.0014 Å |
b | 9.814 ± 0.001 Å |
c | 14.2142 ± 0.0014 Å |
α | 90° |
β | 116.14 ± 0.002° |
γ | 90° |
Cell volume | 1765.7 ± 0.3 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0598 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7238134.html
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