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Information card for entry 2242960
Preview
Coordinates | 2242960.cif |
---|---|
Structure factors | 2242960.hkl |
Original IUCr paper | HTML |
Chemical name | Methyl α-<i>L</i>-rhamnopyranosyl-(1\ρightarrow2)-α-<i>L</i>-rhamnopyranoside monohydrate |
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Formula | C13 H26 O10 |
Calculated formula | C13 H26 O10 |
SMILES | [C@@H]1([C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O[C@H]1[C@H](OC)O[C@H]([C@@H]([C@H]1O)O)C.O |
Title of publication | Crystal structure of methyl α-<small>L</small>-rhamnopyranosyl-(1\ρightarrow 2)-α-<small>L</small>-rhamnopyranoside monohydrate |
Authors of publication | Eriksson, Lars; Widmalm, Göran |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 6 |
Pages of publication | 854 - 857 |
a | 13.936 ± 0.003 Å |
b | 15.501 ± 0.003 Å |
c | 15.988 ± 0.003 Å |
α | 90° |
β | 105.92 ± 0.16° |
γ | 90° |
Cell volume | 3321 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2689 |
Residual factor for significantly intense reflections | 0.0753 |
Weighted residual factors for significantly intense reflections | 0.148 |
Weighted residual factors for all reflections included in the refinement | 0.1733 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.849 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
215532 (current) | 2019-05-25 | cif/ hkl/ Adding structures of 2242960 via cif-deposit CGI script. |
2242960.cif 2242960.hkl |
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Users of the data should acknowledge the original authors of the
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