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Information card for entry 4505383
Preview
| Coordinates | 4505383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | acridine |
|---|---|
| Chemical name | acridine |
| Formula | C13 H9 N |
| Calculated formula | C13 H9 N |
| SMILES | n1c2ccccc2cc2ccccc12 |
| Title of publication | Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution |
| Authors of publication | Mei, Xuefeng; Wolf, Christian |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2004 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 1099 |
| a | 6.174 ± 0.002 Å |
| b | 23.497 ± 0.008 Å |
| c | 12.868 ± 0.004 Å |
| α | 90° |
| β | 96.483 ± 0.006° |
| γ | 90° |
| Cell volume | 1854.8 ± 1 Å3 |
| Cell temperature | 187 ± 2 K |
| Ambient diffraction temperature | 187 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1272 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.684 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4505383.cif |
| 179588 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53. |
4505383.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505383.cif |
| 51409 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505383 via cif-deposit CGI script. |
4505383.cif |
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Users of the data should acknowledge the original authors of the
structural data.