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Information card for entry 1557873
Preview
| Coordinates | 1557873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H31 N O6 |
|---|---|
| Calculated formula | C28 H31 N O6 |
| SMILES | O=C(OC)c1c(N(c2ccc(OC)cc2)c2ccc(OC)cc2)c(cc(c1)C(C)(C)C)C(=O)OC |
| Title of publication | Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds |
| Authors of publication | Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 5082 - 5088 |
| a | 10.3036 ± 0.0006 Å |
| b | 18.9257 ± 0.0011 Å |
| c | 13.0352 ± 0.0007 Å |
| α | 90° |
| β | 94.843 ± 0.002° |
| γ | 90° |
| Cell volume | 2532.8 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0769 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.597 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257326 (current) | 2020-10-06 | cif/ Updating files of 1557869, 1557870, 1557871, 1557872, 1557873, 1557874, 1557875, 1557876 Original log message: Adding full bibliography for 1557869--1557876.cif. |
1557873.cif |
| 252728 | 2020-06-05 | cif/ Updating files of 1557869, 1557870, 1557871, 1557872, 1557873, 1557874, 1557875, 1557876 Original log message: Adding full bibliography for 1557869--1557876.cif. |
1557873.cif |
| 251063 | 2020-04-23 | cif/ Adding structures of 1557869, 1557870, 1557871, 1557872, 1557873, 1557874, 1557875, 1557876 via cif-deposit CGI script. |
1557873.cif |
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Users of the data should acknowledge the original authors of the
structural data.