Information card for entry 7130310
Chemical name |
634 |
Formula |
C267 H259 F13 N42 O42 |
Calculated formula |
C267 H259 F13 N42 O42 |
Title of publication |
[3]Foldarotaxane-Mediated Synthesis of an Improbable [2]Rotaxane |
Authors of publication |
Koehler, Victor; Gauthier, Maxime; Yao, Chenhao; Fournel-Marotte, Karine; Waeles, Philip; Kauffmann, Brice; Huc, Ivan; Coutrot, Frédéric; Ferrand, Yann |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
28.3005 ± 0.0004 Å |
b |
47.5333 ± 0.001 Å |
c |
51.9586 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
69896 ± 2 Å3 |
Cell temperature |
135 K |
Ambient diffraction temperature |
135 K |
Number of distinct elements |
5 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.1333 |
Residual factor for significantly intense reflections |
0.0953 |
Weighted residual factors for significantly intense reflections |
0.2948 |
Weighted residual factors for all reflections included in the refinement |
0.3297 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.159 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7130310.html