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Information card for entry 1545148
Preview
| Coordinates | 1545148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H52 O8 |
|---|---|
| Calculated formula | C44 H52 O8 |
| Title of publication | Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes |
| Authors of publication | Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man |
| Journal of publication | Macromolecules |
| Year of publication | 2017 |
| Journal volume | 50 |
| Journal issue | 3 |
| Pages of publication | 900 |
| a | 4.7766 ± 0.0002 Å |
| b | 41.019 ± 0.0013 Å |
| c | 12.2047 ± 0.0004 Å |
| α | 90° |
| β | 94.6748 ± 0.0017° |
| γ | 90° |
| Cell volume | 2383.33 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1218 |
| Residual factor for significantly intense reflections | 0.11 |
| Weighted residual factors for significantly intense reflections | 0.2433 |
| Weighted residual factors for all reflections included in the refinement | 0.2508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545148.cif |
| 193606 | 2017-03-04 | cif/ Updating files of 1545148 Original log message: Adding full bibliography for 1545148.cif. |
1545148.cif |
| 190891 | 2017-01-25 | cif/ Adding structures of 1545148 via cif-deposit CGI script. |
1545148.cif |
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Users of the data should acknowledge the original authors of the
structural data.