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Information card for entry 1529305
Preview
| Coordinates | 1529305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H12 O2 |
|---|---|
| Calculated formula | C9 H12 O2 |
| SMILES | Oc1ccc(cc1)CCCO |
| Title of publication | Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation |
| Authors of publication | Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault |
| Journal of publication | Energy Environ. Sci. |
| Year of publication | 2015 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 2734 |
| a | 18.8855 ± 0.0012 Å |
| b | 7.9784 ± 0.0006 Å |
| c | 11.2136 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1689.62 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529305.cif |
| 161987 | 2015-10-09 | cif/ Updating files of 1529304, 1529305 Original log message: Adding full bibliography for 1529304--1529305.cif. |
1529305.cif |
| 152632 | 2015-07-30 | cif/ Adding structures of 1529304, 1529305 via cif-deposit CGI script. |
1529305.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.