Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032851
Preview
| Coordinates | 7032851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H16 N2 O2 |
|---|---|
| Calculated formula | C11 H16 N2 O2 |
| SMILES | [O-]C(=O)[C@@H]([NH2+]Cc1ncccc1)C(C)C |
| Title of publication | Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol. |
| Authors of publication | Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 4 |
| Pages of publication | 1612 - 1626 |
| a | 5.725 ± 0.0003 Å |
| b | 12.106 ± 0.0007 Å |
| c | 16.413 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1137.53 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| 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. |
7032851.cif |
| 180034 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032851.cif |
| 133263 | 2015-03-06 | cif/ Updating files of 7032851, 7032852, 7032853 Original log message: Adding full bibliography for 7032851--7032853.cif. |
7032851.cif |
| 125576 | 2014-10-21 | cif/ Adding structures of 7032851, 7032852, 7032853 via cif-deposit CGI script. |
7032851.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.