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Information card for entry 4127313
Preview
| Coordinates | 4127313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H59 N10 O12.5 |
|---|---|
| Calculated formula | C70 H58.9999 N10 O12.5 |
| Title of publication | Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle. |
| Authors of publication | Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 15.9512 ± 0.0011 Å |
| b | 15.0324 ± 0.0011 Å |
| c | 25.0891 ± 0.0017 Å |
| α | 90° |
| β | 90.488 ± 0.002° |
| γ | 90° |
| Cell volume | 6015.8 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.02 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219582 (current) | 2019-10-28 | cif/ Adding structures of 4127313 via cif-deposit CGI script. |
4127313.cif |
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Users of the data should acknowledge the original authors of the
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