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Information card for entry 1568221
Preview
| Coordinates | 1568221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 N4 O4 |
|---|---|
| Calculated formula | C18 H20 N4 O4 |
| Title of publication | A folded π-system with supramolecularly oriented dipoles: single-component piezoelectric relaxor with NLO activity. |
| Authors of publication | De, Soumi; Asthana, Deepak; Thirmal, Chinthakuntla; Keshri, Sudhir K.; Ghosh, Ram Krishna; Hundal, Geeta; Kumar, Raju; Singh, Satyendra; Chatterjee, Ratnamala; Mukhopadhyay, Pritam |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2547 - 2552 |
| a | 5.189 ± 0.005 Å |
| b | 7.915 ± 0.004 Å |
| c | 10.643 ± 0.003 Å |
| α | 80.745 ± 0.013° |
| β | 82.34 ± 0.04° |
| γ | 88.94 ± 0.05° |
| Cell volume | 427.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1421 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.2062 |
| Weighted residual factors for all reflections included in the refinement | 0.2349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282281 (current) | 2023-04-04 | cif/ Updating files of 1568221 Original log message: Adding full bibliography for 1568221.cif. |
1568221.cif |
| 280109 | 2023-01-05 | cif/ Adding structures of 1568221 via cif-deposit CGI script. |
1568221.cif |
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Users of the data should acknowledge the original authors of the
structural data.