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Information card for entry 4515878
Preview
| Coordinates | 4515878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | acetanilide |
|---|---|
| Formula | C8 H9 N O |
| Calculated formula | C8 H9 N O |
| Title of publication | Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions. |
| Authors of publication | Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P. |
| Journal of publication | ACS omega |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 13850 - 13861 |
| a | 9.371 ± 0.0009 Å |
| b | 7.7868 ± 0.0008 Å |
| c | 19.5301 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1425.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections included in the refinement | 0.042 |
| RFsqd | 0.028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225970 (current) | 2019-11-10 | cif/ Adding structures of 4515878 via cif-deposit CGI script. |
4515878.cif |
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Users of the data should acknowledge the original authors of the
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