Information card for entry 7230434
| Common name |
2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide |
| Chemical name |
2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide |
| Formula |
C20 H26 Br N O4 |
| Calculated formula |
C20 H26 Br N O4 |
| Title of publication |
Acidochromic spiropyran–merocyanine stabilisation in the solid state |
| Authors of publication |
Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
24 |
| Pages of publication |
3318 |
| a |
11.5976 ± 0.0003 Å |
| b |
23.9015 ± 0.0006 Å |
| c |
7.36093 ± 0.00015 Å |
| α |
90° |
| β |
98.766 ± 0.002° |
| γ |
90° |
| Cell volume |
2016.62 ± 0.08 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
5 |
| 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 |
0.0395 |
| Residual factor for significantly intense reflections |
0.0345 |
| Weighted residual factors for significantly intense reflections |
0.0873 |
| Weighted residual factors for all reflections included in the refinement |
0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7230434.html
