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Information card for entry 2108598
Preview
| Coordinates | 2108598.cif |
|---|---|
| Structure factors | 2108598.hkl |
| Original paper (by DOI) | HTML |
| Common name | 2-monomethyl-quinacridone; Pigment Red 192 |
|---|---|
| Chemical name | 2-methyl-5,12-dihydrochino[2,3-b]acridine-7,14-dione |
| Formula | C21 H14 N2 O2 |
| Calculated formula | C21 H14 N2 O2 |
| Title of publication | Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations |
| Authors of publication | Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 3.82563 ± 0.00022 Å |
| b | 6.50848 ± 0.0002 Å |
| c | 15.2148 ± 0.00051 Å |
| α | 89.522 ± 0.0077° |
| β | 91.9447 ± 0.0085° |
| γ | 101.226 ± 0.0054° |
| Cell volume | 371.37 ± 0.03 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 R(I) for significantly intense reflections | 0.515488 |
| Goodness-of-fit parameter for all reflections | 1.061 |
| 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 |
|---|---|---|---|
| 251888 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 2108598 via cif-deposit CGI script. |
2108598.cif 2108598.hkl |
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