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Information card for entry 4101258
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Coordinates | 4101258.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Val-Ile |
---|---|
Chemical name | L-Valyl-L-Isoleucine |
Formula | C11 H22 N2 O3 |
Calculated formula | C11 H22 N2 O3 |
Title of publication | Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. |
Authors of publication | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Journal issue | 20 |
Pages of publication | 6737 - 6744 |
a | 14.774 ± 0.002 Å |
b | 14.774 ± 0.002 Å |
c | 10.319 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1950.6 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.033 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4101258.html
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