Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216901
Preview
| Coordinates | 7216901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H27 N O Se |
|---|---|
| Calculated formula | C23 H27 N O Se |
| SMILES | [Se]=C(N(Cc1ccccc1)Cc1ccccc1)[C@H]([C@H](O)C(=C)C)CC=C |
| Title of publication | Aldol-type condensation reactions of lithium eneselenolates generated from selenoamides with aldehydes |
| Authors of publication | Murai, Toshiaki; Suzuki, Akiko; Kato, Shinzi |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication | 2001 |
| Journal issue | 20 |
| Pages of publication | 2711 |
| a | 7.445 ± 0.002 Å |
| b | 10.865 ± 0.002 Å |
| c | 13.339 ± 0.001 Å |
| α | 90° |
| β | 100.69 ± 0.01° |
| γ | 90° |
| Cell volume | 1060.3 ± 0.4 Å3 |
| Cell temperature | 193.2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216901.cif |
| 118550 | 2014-06-30 | cif/ Adding structures of 7216901 via cif-deposit CGI script. |
7216901.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.