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Information card for entry 1554988
Preview
| Coordinates | 1554988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H69.97 N4 O14 S4 |
|---|---|
| Calculated formula | C40 H69.973 N4 O14 S4 |
| Title of publication | New "pyrene box" cages for adaptive guest conformations. |
| Authors of publication | Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2178 - 2181 |
| a | 11.2634 ± 0.0018 Å |
| b | 15.966 ± 0.002 Å |
| c | 16.009 ± 0.004 Å |
| α | 111.587 ± 0.016° |
| β | 100.691 ± 0.016° |
| γ | 109.004 ± 0.013° |
| Cell volume | 2373.6 ± 1 Å3 |
| Cell temperature | 175 K |
| Ambient diffraction temperature | 175 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0969 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.0454 |
| Weighted residual factors for all reflections included in the refinement | 0.0454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238254 (current) | 2019-11-24 | cif/ Adding structures of 1554988 via cif-deposit CGI script. |
1554988.cif |
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Users of the data should acknowledge the original authors of the
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