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Information card for entry 1519288
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Coordinates | 1519288.cif |
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Formula | C26 H30 O9 |
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Calculated formula | C26 H30 O9 |
SMILES | O(C)c1c(OC)cc(cc1)[C@@H]1[C@H]2COC[C@]2(OC(=O)C)[C@@H](OC(=O)C)c2cc(OC)c(OC)cc12 |
Title of publication | C26H30O9 |
Authors of publication | Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2000 |
Pages of publication | 105 |
a | 8.342 ± 0.0017 Å |
b | 12.846 ± 0.003 Å |
c | 22.736 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2436.4 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0658 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519288.cif |
135638 | 2015-05-06 | cif/ Adding structures of 1519288 via cif-deposit CGI script. |
1519288.cif |
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Users of the data should acknowledge the original authors of the
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