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Information card for entry 8107256
Preview
| Coordinates | 8107256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 N2 O12 |
|---|---|
| Calculated formula | C40 H32 N2 O12 |
| Title of publication | The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12 |
| Authors of publication | Cheng, Gui-Lin; Jiang, Cheng-Jun; Xia, Ying-Fan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 933 - 935 |
| a | 7.403 ± 0.003 Å |
| b | 8.275 ± 0.003 Å |
| c | 14.571 ± 0.004 Å |
| α | 106.115 ± 0.015° |
| β | 98.239 ± 0.016° |
| γ | 95.054 ± 0.019° |
| Cell volume | 841 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283964 (current) | 2023-05-23 | cif/ Adding structures of 8107256 via cif-deposit CGI script. |
8107256.cif |
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