Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4024699
Preview
| Coordinates | 4024699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 N O3 |
|---|---|
| Calculated formula | C24 H21 N O3 |
| SMILES | O=C1c2ccccc2N(C(=O)OCC)[C@H]([C@@H]1c1ccccc1)c1ccccc1.O=C1c2ccccc2N(C(=O)OCC)[C@@H]([C@H]1c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of 2,3-Dihydroquinolin-4(1H)-ones through Catalytic Metathesis of o-Alkynylanilines and Aldehydes |
| Authors of publication | Akio Saito; Jun Kasai; Yu Odaira; Haruhiko Fukaya; Yuji Hanzawa |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 5644 - 5647 |
| a | 8.654 ± 0.003 Å |
| b | 9.142 ± 0.003 Å |
| c | 13.383 ± 0.004 Å |
| α | 89.696 ± 0.003° |
| β | 71.752 ± 0.003° |
| γ | 65.373 ± 0.003° |
| Cell volume | 904.4 ± 0.5 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4024699.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024699.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024699.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024699.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024699.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.