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Information card for entry 2108944
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| Coordinates | 2108944.cif |
|---|---|
| Structure factors | 2108944.hkl |
| Original IUCr paper | HTML |
| Common name | 4,11-Difluoro-quinacridone, alpha-phase |
|---|---|
| Chemical name | 4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, alpha-phase |
| Formula | C20 H10 F2 N2 O2 |
| Calculated formula | C20 H10 F2 N2 O2 |
| Title of publication | Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions |
| Authors of publication | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 2 |
| a | 14.2169 ± 0.0017 Å |
| b | 3.76791 ± 0.00022 Å |
| c | 13.7214 ± 0.0015 Å |
| α | 90° |
| β | 102.298 ± 0.014° |
| γ | 90° |
| Cell volume | 718.16 ± 0.13 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 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 | 0.02618 |
| Goodness-of-fit parameter for all reflections | 4.402 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273773 (current) | 2022-03-18 | cif/ hkl/ Adding structures of 2108944, 2108945 via cif-deposit CGI script. |
2108944.cif 2108944.hkl |
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