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Information card for entry 8107199
Preview
| Coordinates | 8107199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H15 Br N2 O6 |
|---|---|
| Calculated formula | C22 H15 Br N2 O6 |
| Title of publication | Crystal structure of 3-(3-bromophenyl)-1′,3′-dimethyl-2′H,3H,4H-spiro[furo[3, 2-c]chromene-2,5′-pyrimidine]-2′,4,4′,6′(1′H,3′H) tetraone, C22H15BrN2O6 |
| Authors of publication | Jiang, Dong-Li; Fan, Lian-Lian; Yin, Peng; Liang, Di; Li, Rui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 723 - 724 |
| a | 5.176 ± 0.0005 Å |
| b | 17.5652 ± 0.0019 Å |
| c | 21.734 ± 0.002 Å |
| α | 90° |
| β | 94.69 ± 0.003° |
| γ | 90° |
| Cell volume | 1969.4 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| 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 | 0.1221 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283764 (current) | 2023-05-15 | cif/ Adding structures of 8107199 via cif-deposit CGI script. |
8107199.cif |
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Users of the data should acknowledge the original authors of the
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