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Information card for entry 7133073
Preview
| Coordinates | 7133073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N S |
|---|---|
| Calculated formula | C15 H11 N S |
| SMILES | S=C(N)c1c2c(cc3c1cccc3)cccc2 |
| Title of publication | Off-the-shelf thermosalience of anthracene-9-thiocarboxamide. |
| Authors of publication | George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 60 |
| Pages of publication | 7697 - 7700 |
| a | 9.2993 ± 0.0002 Å |
| b | 9.8997 ± 0.0002 Å |
| c | 13.2708 ± 0.0003 Å |
| α | 82.308 ± 0.002° |
| β | 83.479 ± 0.002° |
| γ | 77.987 ± 0.002° |
| Cell volume | 1179.57 ± 0.05 Å3 |
| Cell temperature | 298 ± 3 K |
| Ambient diffraction temperature | 298 ± 3 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 for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293705 (current) | 2024-08-05 | cif/ Updating files of 7133073, 7133074, 7133075, 7133076, 7133077 Original log message: Adding full bibliography for 7133073--7133077.cif. |
7133073.cif |
| 291986 | 2024-05-23 | cif/ Adding structures of 7133073, 7133074, 7133075, 7133076, 7133077 via cif-deposit CGI script. |
7133073.cif |
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Users of the data should acknowledge the original authors of the
structural data.