Information card for entry 1563134
| Formula |
C79 H88 O12 |
| Calculated formula |
C79 H88 O12 |
| Title of publication |
An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes |
| Authors of publication |
DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
16.42 ± 0.08 Å |
| b |
20.342 ± 0.012 Å |
| c |
21.545 ± 0.017 Å |
| α |
83.045 ± 0.014° |
| β |
80.54 ± 0.08° |
| γ |
67.32 ± 0.11° |
| Cell volume |
6536 ± 3 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.145 |
| Residual factor for significantly intense reflections |
0.0962 |
| Weighted residual factors for significantly intense reflections |
0.2623 |
| Weighted residual factors for all reflections included in the refinement |
0.3057 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.017 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.7 Å |
| Diffraction radiation type |
Synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1563134.html
