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Information card for entry 8106257
Preview
| Coordinates | 8106257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | acridinium 2-carboxybenzoate |
|---|---|
| Formula | C21 H15 N O4 |
| Calculated formula | C21 H15 N O4 |
| SMILES | c1cccc2[nH+]c3ccccc3cc12.c1(c(cccc1)C(=O)O)C(=O)[O-] |
| Title of publication | The crystal structure of acridin-10-ium2-carboxybenzoate, C21H15NO4 |
| Authors of publication | Fennig, Kornelia; Sikorski, Artur |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 675 - 676 |
| a | 7.2223 ± 0.0003 Å |
| b | 9.185 ± 0.0004 Å |
| c | 25.2304 ± 0.001 Å |
| α | 90° |
| β | 92.604 ± 0.003° |
| γ | 90° |
| Cell volume | 1671.98 ± 0.12 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279563 (current) | 2022-11-25 | cif/ Adding structures of 8106257 via cif-deposit CGI script. |
8106257.cif |
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Users of the data should acknowledge the original authors of the
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