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Information card for entry 7245395
Preview
| Coordinates | 7245395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 N4 O6 |
|---|---|
| Calculated formula | C15 H14 N4 O6 |
| SMILES | O(c1c(OC)cc(/C=N/Nc2c(N(=O)=O)cc(N(=O)=O)cc2)cc1)C |
| Title of publication | Fast and reversible bidirectional photomechanical response displayed by a flexible polycrystalline aggregate of a hydrazone |
| Authors of publication | Gupta, Poonam; Allu, Suryanarayana; Hazarika, Pragyan J.; Ray, Nisha R.; Nangia, Ashwini K.; Nath, Naba K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 17.3887 ± 0.0009 Å |
| b | 7.8689 ± 0.0004 Å |
| c | 23.0857 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3158.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 0.4 K |
| Ambient diffraction temperature | 296 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1571 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277511 (current) | 2022-09-01 | cif/ Adding structures of 7245395 via cif-deposit CGI script. |
7245395.cif |
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Users of the data should acknowledge the original authors of the
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