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Information card for entry 2244107
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| Coordinates | 2244107.cif |
|---|---|
| Structure factors | 2244107.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,6-Diacetylresorcinol–1-aminopyrene (2/1) |
|---|---|
| Formula | C36 H31 N O8 |
| Calculated formula | C36 H31 N O8 |
| Title of publication | The co-crystal 4,6-diacetylresorcinol–1-aminopyrene (2/1) |
| Authors of publication | Magrashi, Maryam Ali; Aazam, Elham Shafik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 6 |
| Pages of publication | 679 - 681 |
| a | 18.7222 ± 0.0014 Å |
| b | 9.787 ± 0.0006 Å |
| c | 16.9398 ± 0.0015 Å |
| α | 90° |
| β | 113.758 ± 0.004° |
| γ | 90° |
| Cell volume | 2840.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275714 (current) | 2022-06-01 | cif/ hkl/ Adding structures of 2244107 via cif-deposit CGI script. |
2244107.cif 2244107.hkl |
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