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Information card for entry 4038693
Preview
| Coordinates | 4038693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 Cl N5 O5 |
|---|---|
| Calculated formula | C18 H10 Cl N5 O5 |
| 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 | 9.8312 ± 0.0012 Å |
| b | 6.6242 ± 0.0009 Å |
| c | 12.7222 ± 0.0019 Å |
| α | 90° |
| β | 95.267 ± 0.008° |
| γ | 90° |
| Cell volume | 825.02 ± 0.19 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1521 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.2062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255298 (current) | 2020-08-14 | cif/ Adding structures of 4038691, 4038692, 4038693 via cif-deposit CGI script. |
4038693.cif |
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Users of the data should acknowledge the original authors of the
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