Information card for entry 1545148
| 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 |
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https://www.crystallography.net/1545148.html
