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Information card for entry 8105547
Preview
| Coordinates | 8105547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 F2 N O5 |
|---|---|
| Calculated formula | C21 H15 F2 N O5 |
| Title of publication | Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5 |
| Authors of publication | Li, Jingwei; Nie, Xingyu; Fan, Hao; Wu, Xuejiao; Li, Xiaonan; He, Jieli |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 77 - 78 |
| a | 5.699 ± 0.003 Å |
| b | 9.629 ± 0.004 Å |
| c | 16.888 ± 0.002 Å |
| α | 86.51 ± 0.03° |
| β | 84.31 ± 0.03° |
| γ | 81.06 ± 0.03° |
| Cell volume | 910 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.152 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276315 (current) | 2022-06-28 | cif/ Adding structures of 8105547 via cif-deposit CGI script. |
8105547.cif |
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