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Information card for entry 7230299
Preview
| Coordinates | 7230299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Acetaminophen |
|---|---|
| Formula | C8 H9 N O2 |
| Calculated formula | C8 H9 N O2 |
| Title of publication | SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation |
| Authors of publication | Bolla, Geetha; Myerson, Allan S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 15 |
| Pages of publication | 2084 |
| a | 11.7678 ± 0.0007 Å |
| b | 7.1966 ± 0.0005 Å |
| c | 17.1615 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1453.38 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.05 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230299.cif |
| 229097 | 2019-11-17 | cif/ Updating files of 7230299 Original log message: Adding full bibliography for 7230299.cif. |
7230299.cif |
| 206954 | 2018-03-15 | cif/ Adding structures of 7230299 via cif-deposit CGI script. |
7230299.cif |
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Users of the data should acknowledge the original authors of the
structural data.