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Information card for entry 1534136
Preview
| Coordinates | 1534136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H35 N O |
|---|---|
| Calculated formula | C39 H35 N O |
| SMILES | O=C(/C=C(N(CC)CC)\c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1 |
| Title of publication | Regio- and stereoselective construction of stimuli-responsive macromolecules by a sequential coupling-hydroamination polymerization route |
| Authors of publication | Deng, Haiqin; He, Zikai; Lam, Jacky W. Y.; Tang, Ben Zhong |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 48 |
| Pages of publication | 8297 |
| a | 19.39657 ± 0.00015 Å |
| b | 15.07422 ± 0.00012 Å |
| c | 10.4257 ± 0.00008 Å |
| α | 90° |
| β | 98.9955 ± 0.0007° |
| γ | 90° |
| Cell volume | 3010.86 ± 0.04 Å3 |
| Cell temperature | 99.9 ± 0.2 K |
| Ambient diffraction temperature | 99.9 ± 0.2 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 | 0.0347 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1534136.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. |
1534136.cif |
| 171369 | 2015-12-09 | cif/ Updating files of 1534136 Original log message: Adding full bibliography for 1534136.cif. |
1534136.cif |
| 160596 | 2015-10-07 | cif/ Adding structures of 1534136 via cif-deposit CGI script. |
1534136.cif |
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Users of the data should acknowledge the original authors of the
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