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Information card for entry 7703841
Preview
| Coordinates | 7703841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H9 N O |
|---|---|
| Calculated formula | C7 H9 N O |
| SMILES | Oc1c(N)cc(cc1)C |
| Title of publication | Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol. |
| Authors of publication | Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 15 |
| Pages of publication | 4710 - 4724 |
| a | 7.5254 ± 0.0016 Å |
| b | 7.7391 ± 0.0015 Å |
| c | 22.763 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1325.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703841.cif |
| 251654 | 2020-05-05 | cif/ Updating files of 7703840, 7703841, 7703842, 7703843 Original log message: Adding full bibliography for 7703840--7703843.cif. |
7703841.cif |
| 249691 | 2020-03-25 | cif/ Adding structures of 7703840, 7703841, 7703842, 7703843 via cif-deposit CGI script. |
7703841.cif |
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Users of the data should acknowledge the original authors of the
structural data.