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Information card for entry 7060470
Preview
| Coordinates | 7060470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 N2 O2 |
|---|---|
| Calculated formula | C16 H16 N2 O2 |
| Title of publication | Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives |
| Authors of publication | Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2021 |
| Journal volume | 45 |
| Journal issue | 15 |
| Pages of publication | 6640 - 6650 |
| a | 5.9378 ± 0.0004 Å |
| b | 7.3721 ± 0.0007 Å |
| c | 15.3569 ± 0.0012 Å |
| α | 90° |
| β | 96.417 ± 0.007° |
| γ | 90° |
| Cell volume | 668.02 ± 0.09 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 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 | 0.1051 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.2365 |
| Weighted residual factors for all reflections included in the refinement | 0.2602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301852 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
7060470.cif |
| 264937 | 2021-05-05 | cif/ Updating files of 7060468, 7060469, 7060470, 7060471, 7060472, 7060473, 7060474, 7060475, 7060476, 7060477, 7060478, 7060479, 7060480 Original log message: Adding full bibliography for 7060468--7060480.cif. |
7060470.cif |
| 263197 | 2021-03-20 | cif/ Adding structures of 7060468, 7060469, 7060470, 7060471, 7060472, 7060473, 7060474, 7060475, 7060476, 7060477, 7060478, 7060479, 7060480 via cif-deposit CGI script. |
7060470.cif |
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Users of the data should acknowledge the original authors of the
structural data.