Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037137
Preview
| Coordinates | 7037137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H23 N O |
|---|---|
| Calculated formula | C24 H23 N O |
| SMILES | N(=C\1C(=O)c2c3c1cccc3ccc2)\c1c(cccc1C(C)C)C(C)C |
| Title of publication | Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian). |
| Authors of publication | Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 47 |
| Pages of publication | 20532 - 20541 |
| a | 15.2395 ± 0.0011 Å |
| b | 14.3009 ± 0.0011 Å |
| c | 17.4321 ± 0.0012 Å |
| α | 90° |
| β | 96.931 ± 0.002° |
| γ | 90° |
| Cell volume | 3771.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1147 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037137.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037137.cif |
| 171245 | 2015-12-09 | cif/ Updating files of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 Original log message: Adding full bibliography for 7037137--7037142.cif. |
7037137.cif |
| 170236 | 2015-11-12 | cif/ Adding structures of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 via cif-deposit CGI script. |
7037137.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.