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Information card for entry 7204912
Preview
Coordinates | 7204912.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | methyl 6-O-undecanoyl-alpha-D-galactopyranoside |
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Formula | C18 H34 O7 |
Calculated formula | C18 H34 O7 |
SMILES | [C@H]1([C@@H]([C@H]([C@H]([C@@H](COC(=O)CCCCCCCCCC)O1)O)O)O)OC |
Title of publication | Crystal structures of glycolipids with odd and even numbered alkyl chains |
Authors of publication | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 2 |
Pages of publication | 341 |
a | 5.778 ± 0.001 Å |
b | 7.903 ± 0.001 Å |
c | 22.326 ± 0.001 Å |
α | 90° |
β | 92.83 ± 0.01° |
γ | 90° |
Cell volume | 1018.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0783 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections | 0.1398 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Goodness-of-fit parameter for all reflections | 1.017 |
Goodness-of-fit parameter for significantly intense reflections | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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