Information card for entry 1550768
| Formula |
C30 H18 Br2 N2 |
| Calculated formula |
C30 H18 Br2 N2 |
| SMILES |
Brc1cc2n(c3ccc(n4c5ccccc5c5c4cccc5)cc3)c3cc(Br)ccc3c2cc1 |
| Title of publication |
Origin of the isotropic motion in crystalline molecular rotors with carbazole stators |
| Authors of publication |
Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio |
| Journal of publication |
Chemical Science |
| Year of publication |
2019 |
| a |
4.5701 ± 0.0002 Å |
| b |
30.1408 ± 0.0016 Å |
| c |
16.5121 ± 0.0008 Å |
| α |
90° |
| β |
92.41 ± 0.001° |
| γ |
90° |
| Cell volume |
2272.47 ± 0.19 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0823 |
| Residual factor for significantly intense reflections |
0.043 |
| Weighted residual factors for significantly intense reflections |
0.0822 |
| Weighted residual factors for all reflections included in the refinement |
0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
| 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/1550768.html
