Information card for entry 7129872
| Formula |
C38 H25 N3 O6 |
| Calculated formula |
C38 H25 N3 O6 |
| Title of publication |
New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides |
| Authors of publication |
Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz. |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
8.83471 ± 0.00017 Å |
| b |
11.9486 ± 0.0003 Å |
| c |
15.9837 ± 0.0004 Å |
| α |
69.204 ± 0.002° |
| β |
78.6911 ± 0.0018° |
| γ |
75.309 ± 0.002° |
| Cell volume |
1515.25 ± 0.07 Å3 |
| Cell temperature |
100.01 ± 0.1 K |
| Ambient diffraction temperature |
100.01 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0362 |
| Residual factor for significantly intense reflections |
0.0354 |
| Weighted residual factors for significantly intense reflections |
0.0946 |
| Weighted residual factors for all reflections included in the refinement |
0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| 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/7129872.html
