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Information card for entry 1555199
Preview
| Coordinates | 1555199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H18 N2 O2 |
|---|---|
| Calculated formula | C23 H18 N2 O2 |
| Title of publication | Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part |
| Authors of publication | Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 21 |
| Pages of publication | 3649 |
| a | 28.7181 ± 0.0008 Å |
| b | 16.094 ± 0.0004 Å |
| c | 7.4702 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3452.65 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.98 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238386 (current) | 2019-11-24 | cif/ Adding structures of 1555198, 1555199, 1555200, 1555201, 1555202, 1555203, 1555204, 1555205 via cif-deposit CGI script. |
1555199.cif |
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Users of the data should acknowledge the original authors of the
structural data.