Information card for entry 7161222
| Common name |
CTB-1NMe |
| Formula |
C24 H25 N O3 |
| Calculated formula |
C24 H25 N O3 |
| Title of publication |
Study of aza-and diaza-cyclotribenzylidenes conformations |
| Authors of publication |
Château, Arsène; Vigier, Clement; Jarsale, Karine; Legay, Remi; Lohier, Jean-François; Sopkova de Oliveira Santos, Jana; Cailly, Thomas; Fabis, Frédéric; Dubost, Emmanuelle |
| Journal of publication |
Organic & Biomolecular Chemistry |
| Year of publication |
2026 |
| a |
7.97985 ± 0.00018 Å |
| b |
10.8956 ± 0.0002 Å |
| c |
11.7699 ± 0.0002 Å |
| α |
78.5141 ± 0.0017° |
| β |
88.9686 ± 0.0017° |
| γ |
72.6942 ± 0.0019° |
| Cell volume |
956.52 ± 0.03 Å3 |
| Cell temperature |
132 ± 15 K |
| Ambient diffraction temperature |
132 ± 15 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 |
0.0553 |
| Residual factor for significantly intense reflections |
0.0508 |
| Weighted residual factors for significantly intense reflections |
0.1441 |
| Weighted residual factors for all reflections included in the refinement |
0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.066 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7161222.html
