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Information card for entry 1520348
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Coordinates | 1520348.cif |
---|
Formula | C24 H32 O15 |
---|---|
Calculated formula | C24 H32 O15 |
SMILES | [C@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@@H](COC(=O)C)OC=C[C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C |
Title of publication | Acetic acid (2R,3S,4R,5S,6S)-3,4,5-triacetoxy-6-((2S,4R)-4-acetoxy-2- acetoxymethyl-oxepan-3-ylmethyl)-tetrahydro-pyran-2-ylmethyl ester |
Authors of publication | Tizzard, Graham J.; Hursthouse, Michael B.; Croft, Anna K. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 872 |
a | 9.3572 ± 0.0001 Å |
b | 11.0999 ± 0.0002 Å |
c | 25.9334 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2693.55 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0588 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520348.html
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Users of the data should acknowledge the original authors of the
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