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Information card for entry 8106603
Preview
| Coordinates | 8106603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 N2 O3 |
|---|---|
| Calculated formula | C22 H18 N2 O3 |
| Title of publication | Crystal structure of 2-amino-4-(4-isopropyl-phenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromene, C22H18N2O3 |
| Authors of publication | Zhang, Chang-Hu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 565 - 566 |
| a | 14.8532 ± 0.0007 Å |
| b | 11.3579 ± 0.0006 Å |
| c | 22.1712 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3740.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280636 (current) | 2023-01-27 | cif/ Adding structures of 8106603 via cif-deposit CGI script. |
8106603.cif |
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Users of the data should acknowledge the original authors of the
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