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Information card for entry 7206472
Preview
| Coordinates | 7206472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H34 N2 O3 |
|---|---|
| Calculated formula | C27 H34 N2 O3 |
| SMILES | c1c(c(ccc1N(=O)=O)O)/C=N/C[C@@]1(CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C)C |
| Title of publication | Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases |
| Authors of publication | Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 38 |
| Pages of publication | 14599 |
| a | 11.158 ± 0.0017 Å |
| b | 6.2046 ± 0.001 Å |
| c | 17.347 ± 0.003 Å |
| α | 90° |
| β | 101.49 ± 0.003° |
| γ | 90° |
| Cell volume | 1176.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1393 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206472.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7206472.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206472.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206472.cif |
| 27993 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206471, 7206472 via cif-deposit CGI script. |
7206472.cif |
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Users of the data should acknowledge the original authors of the
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