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Information card for entry 1505156
Preview
| Coordinates | 1505156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C23 H19 N3 O2 |
|---|---|
| Calculated formula | C23 H19 N3 O2 |
| SMILES | O=C(NCC#C)[C@@H](Oc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 |
| Title of publication | Synthesis of Helical Poly(N-propargylamides) Carrying Azobenzene Moieties in Side Chains. Reversible Arrangement-Disarrangement of Helical Side Chain Arrays upon Photoirradiation Keeping Helical Main Chain Intact |
| Authors of publication | Fujii, Toru; Shiotsuki, Masashi; Inai, Yoshihito; Sanda, Fumio; Masuda, Toshio |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 20 |
| Pages of publication | 7079 |
| a | 12.132 ± 0.004 Å |
| b | 5.2501 ± 0.0014 Å |
| c | 14.966 ± 0.005 Å |
| α | 90° |
| β | 93.362 ± 0.012° |
| γ | 90° |
| Cell volume | 951.6 ± 0.5 Å3 |
| Cell temperature | 113.1 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 significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505156.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505156.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505156.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505156.cif |
| 45380 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505156 via cif-deposit CGI script. |
1505156.cif |
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Users of the data should acknowledge the original authors of the
structural data.