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Information card for entry 4135215
Preview
| Coordinates | 4135215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H96 F12 N2 O5 P2 |
|---|---|
| Calculated formula | C95 H96 F12 N2 O5 P2 |
| Title of publication | Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics. |
| Authors of publication | Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 23.011 ± 0.01 Å |
| b | 16.617 ± 0.009 Å |
| c | 21.113 ± 0.009 Å |
| α | 90° |
| β | 91.04 ± 0.03° |
| γ | 90° |
| Cell volume | 8072 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1622 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.1862 |
| Weighted residual factors for all reflections included in the refinement | 0.2059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255758 (current) | 2020-09-01 | cif/ Adding structures of 4135215 via cif-deposit CGI script. |
4135215.cif |
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Users of the data should acknowledge the original authors of the
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