Information card for entry 7231294
| Formula |
C40 H42 N2 O6 |
| Calculated formula |
C40 H42 N2 O6 |
| Title of publication |
The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites |
| Authors of publication |
Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
39 |
| Pages of publication |
6054 |
| a |
4.3773 ± 0.0018 Å |
| b |
46.183 ± 0.015 Å |
| c |
8.215 ± 0.003 Å |
| α |
90° |
| β |
93.759 ± 0.006° |
| γ |
90° |
| Cell volume |
1657.1 ± 1.1 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0903 |
| Residual factor for significantly intense reflections |
0.0512 |
| Weighted residual factors for significantly intense reflections |
0.1107 |
| Weighted residual factors for all reflections included in the refinement |
0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7231294.html
