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Information card for entry 7156481
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| Coordinates | 7156481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2i |
|---|---|
| Chemical name | N-Phenyl-N'-isopropyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one |
| Formula | C19 H20 N2 O S |
| Calculated formula | C19 H20 N2 O 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 | 13.0104 ± 0.0007 Å |
| b | 5.4301 ± 0.0003 Å |
| c | 24.2997 ± 0.0015 Å |
| α | 90° |
| β | 101.772 ± 0.004° |
| γ | 90° |
| Cell volume | 1680.61 ± 0.17 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7156481.cif |
| 211316 | 2018-10-04 | cif/ Adding structures of 7156480, 7156481, 7156482, 7156483, 7156484, 7156485, 7156486 via cif-deposit CGI script. |
7156481.cif |
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Users of the data should acknowledge the original authors of the
structural data.