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Information card for entry 1551845
Preview
| Coordinates | 1551845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | E4-1b form I |
|---|---|
| Formula | C53 H44 N8 |
| Calculated formula | C53 H44 N8 |
| Title of publication | Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers |
| Authors of publication | Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi |
| Journal of publication | Nature Chemistry |
| Year of publication | 2015 |
| Journal volume | 7 |
| Pages of publication | 634 - 640 |
| a | 24.2515 ± 0.0011 Å |
| b | 24.2515 ± 0.0011 Å |
| c | 7.7078 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4533.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.2338 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.2275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551845.cif |
| 216466 | 2019-06-21 | cif/ Adding structures of 1551845 via cif-deposit CGI script. |
1551845.cif |
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Users of the data should acknowledge the original authors of the
structural data.