Information card for entry 7129871
Formula |
C99 H80 N4 O10 |
Calculated formula |
C99 H80 N4 O10 |
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 |
9.03641 ± 0.00008 Å |
b |
24.18309 ± 0.00019 Å |
c |
36.1172 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
7892.63 ± 0.13 Å3 |
Cell temperature |
100.01 ± 0.1 K |
Ambient diffraction temperature |
100.15 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0653 |
Residual factor for significantly intense reflections |
0.0608 |
Weighted residual factors for significantly intense reflections |
0.1746 |
Weighted residual factors for all reflections included in the refinement |
0.1799 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7129871.html