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Information card for entry 8105219
Preview
| Coordinates | 8105219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H8 O4 |
|---|---|
| Calculated formula | C16 H8 O4 |
| SMILES | C1(=O)c2c(C(=O)c3ccccc13)c1c(c(ccc1)O)o2 |
| Title of publication | Crystal structure of 4-hydroxynaphtho[2,3-b]benzofuran-6,11-dione, C16H8O4 |
| Authors of publication | Luo, Peng; Chittiboyina, Amar G.; Pan, Wei-Gao; Wei, Wan-Xing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 3 |
| Pages of publication | 565 - 567 |
| a | 3.7133 ± 0.0001 Å |
| b | 9.7214 ± 0.0004 Å |
| c | 15.5765 ± 0.0006 Å |
| α | 90° |
| β | 96.121 ± 0.002° |
| γ | 90° |
| Cell volume | 559.08 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275332 (current) | 2022-05-11 | cif/ Adding structures of 8105219 via cif-deposit CGI script. |
8105219.cif |
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Users of the data should acknowledge the original authors of the
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