Information card for entry 7129726
Formula |
C124 H152 Na2 O19 |
Calculated formula |
C112 H128 Na2 O16 |
Title of publication |
Reversible structural rearrangement of π-expanded cyclooctatetraene upon two-fold reduction with alkali metals |
Authors of publication |
Zhou, Zheng; Zhu, Yikun; Wei, Zheng; Bergner, John; Neiß, Christian; Doloczki, Susanne; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A. |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
13.197 ± 0.003 Å |
b |
57.995 ± 0.011 Å |
c |
15.63 ± 0.003 Å |
α |
90° |
β |
110.696 ± 0.002° |
γ |
90° |
Cell volume |
11191 ± 4 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.1749 |
Residual factor for significantly intense reflections |
0.0764 |
Weighted residual factors for significantly intense reflections |
0.1473 |
Weighted residual factors for all reflections included in the refinement |
0.1802 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.995 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7129726.html