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Information card for entry 8107074
Preview
| Coordinates | 8107074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29 N3 S |
|---|---|
| Calculated formula | C21 H29 N3 S |
| Title of publication | Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S |
| Authors of publication | Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Alkahtani, Hamad M.; Al-Tamimi, Abdul-Malek S.; El-Emam, Ali A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 991 - 993 |
| a | 9.8658 ± 0.0007 Å |
| b | 11.7298 ± 0.0009 Å |
| c | 31.96 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3698.5 ± 0.5 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1631 |
| Weighted residual factors for all reflections included in the refinement | 0.1684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282518 (current) | 2023-04-07 | cif/ Adding structures of 8107074 via cif-deposit CGI script. |
8107074.cif |
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Users of the data should acknowledge the original authors of the
structural data.