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Information card for entry 4038691
Preview
| Coordinates | 4038691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 N3 O2 |
|---|---|
| Calculated formula | C21 H15 N3 O2 |
| Title of publication | Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives |
| Authors of publication | Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G. |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 3.8353 ± 0.0001 Å |
| b | 23.3888 ± 0.0006 Å |
| c | 16.9879 ± 0.0012 Å |
| α | 90° |
| β | 93.51 ± 0.007° |
| γ | 90° |
| Cell volume | 1521.01 ± 0.12 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255298 (current) | 2020-08-14 | cif/ Adding structures of 4038691, 4038692, 4038693 via cif-deposit CGI script. |
4038691.cif |
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Users of the data should acknowledge the original authors of the
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