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Information card for entry 2107956
Preview
| Coordinates | 2107956.cif |
|---|---|
| Structure factors | 2107956.hkl |
| Original IUCr paper | HTML |
| Formula | C28 H26 N4 O2 |
|---|---|
| Calculated formula | C28 H26 N4 O2 |
| Title of publication | Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study |
| Authors of publication | Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 684 - 692 |
| a | 8.9389 ± 0.0005 Å |
| b | 9.7292 ± 0.0007 Å |
| c | 16.065 ± 0.0008 Å |
| α | 89.067 ± 0.005° |
| β | 78.856 ± 0.004° |
| γ | 62.927 ± 0.006° |
| Cell volume | 1216.48 ± 0.15 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1112 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Weighted residual factors for all reflections included in the refinement | 0.2026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186965 (current) | 2016-10-05 | cif/ Updating files of 2107956, 2107957 Original log message: Adding full bibliography for 2107956--2107957.cif. |
2107956.cif 2107956.hkl |
| 186603 | 2016-09-17 | cif/ hkl/ Adding structures of 2107956, 2107957 via cif-deposit CGI script. |
2107956.cif 2107956.hkl |
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Users of the data should acknowledge the original authors of the
structural data.