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Information card for entry 7156483
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| Coordinates | 7156483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5c |
|---|---|
| Chemical name | 5-Benzyl-5-hydroxy-1,3-diisopropyl-2-thioxoimidazolidin-4-one |
| Formula | C16 H22 N2 O2 S |
| Calculated formula | C16 H22 N2 O2 S |
| Title of publication | Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU. |
| Authors of publication | Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 42 |
| Pages of publication | 7910 - 7919 |
| a | 8.7745 ± 0.0014 Å |
| b | 9.4352 ± 0.0016 Å |
| c | 20.409 ± 0.003 Å |
| α | 93.504 ± 0.002° |
| β | 97.479 ± 0.002° |
| γ | 90.918 ± 0.002° |
| Cell volume | 1671.6 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1302 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230685 (current) | 2019-11-17 | cif/ Updating files of 7156480, 7156481, 7156482, 7156483, 7156484, 7156485, 7156486 Original log message: Adding full bibliography for 7156480--7156486.cif. |
7156483.cif |
| 211316 | 2018-10-04 | cif/ Adding structures of 7156480, 7156481, 7156482, 7156483, 7156484, 7156485, 7156486 via cif-deposit CGI script. |
7156483.cif |
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Users of the data should acknowledge the original authors of the
structural data.