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Information card for entry 8107524
Preview
| Coordinates | 8107524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 O7 |
|---|---|
| Calculated formula | C22 H22 O7 |
| SMILES | CC1(C)O[C@@H]2[C@@H]([C@@H]([C@@H](COC(=O)c3ccccc3)O2)OC(=O)c2ccccc2)O1 |
| Title of publication | Crystal structure of 3,5–di-O-benzoyl-1,2-O-isopropylidene-α–D-ribose, C22H22O7 |
| Authors of publication | Wu, Binbin; Chen, Guangying; Ding, Haixin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 663 - 665 |
| a | 8.891 ± 0.002 Å |
| b | 17.938 ± 0.005 Å |
| c | 25.996 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4146 ± 1.8 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286413 (current) | 2023-09-19 | cif/ Adding structures of 8107524 via cif-deposit CGI script. |
8107524.cif |
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Users of the data should acknowledge the original authors of the
structural data.