Information card for entry 7231295
| Formula |
C42 H46 N2 O6 |
| Calculated formula |
C42 H46 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 |
4.3797 ± 0.0017 Å |
| b |
8.22 ± 0.003 Å |
| c |
24.683 ± 0.008 Å |
| α |
98.313 ± 0.013° |
| β |
93.051 ± 0.008° |
| γ |
93.777 ± 0.006° |
| Cell volume |
875.6 ± 0.5 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1438 |
| Residual factor for significantly intense reflections |
0.0608 |
| Weighted residual factors for significantly intense reflections |
0.1136 |
| Weighted residual factors for all reflections included in the refinement |
0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| 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/7231295.html
