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Information card for entry 3500141
Preview
| Coordinates | 3500141.cif |
|---|
| Chemical name | [1,3]Oxazolo[5,4-f][1,3]benzoxazole |
|---|---|
| Formula | C8 H4 N2 O2 |
| Calculated formula | C8 H4 N2 O2 |
| Title of publication | [1,3]Oxazolo[5,4-f][1,3]benzoxazole - Non Spherical Structure Refinement |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2025 |
| a | 7.3324 ± 0.0003 Å |
| b | 3.7048 ± 0.0001 Å |
| c | 12.0905 ± 0.0005 Å |
| α | 90° |
| β | 98.447 ± 0.002° |
| γ | 90° |
| Cell volume | 324.88 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0196 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.0465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1655 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299877 (current) | 2025-05-30 | cif/ Adding structures of 3500141 via cif-deposit CGI script. |
3500141.cif |
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