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Information card for entry 4514150
Preview
| Coordinates | 4514150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H35.94 N10 O6 |
|---|---|
| Calculated formula | C38 H35.935 N10 O6 |
| Title of publication | One-Pot Synthesis of Densely Substituted Pyrazolo[3,4-b]-4,7-dihydropyridines. |
| Authors of publication | Rao, H. Surya Prakash; Adigopula, Lakshmi Narayana; Ramadas, Krishna |
| Journal of publication | ACS combinatorial science |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 5 |
| Pages of publication | 279 - 285 |
| a | 11.3633 ± 0.0009 Å |
| b | 12.479 ± 0.001 Å |
| c | 16.6341 ± 0.0017 Å |
| α | 86.351 ± 0.007° |
| β | 72.539 ± 0.008° |
| γ | 78.203 ± 0.007° |
| Cell volume | 2202.5 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.2104 |
| Residual factor for significantly intense reflections | 0.1598 |
| Weighted residual factors for significantly intense reflections | 0.4485 |
| Weighted residual factors for all reflections included in the refinement | 0.4731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.492 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197219 (current) | 2017-06-04 | cif/ Adding structures of 4514150 via cif-deposit CGI script. |
4514150.cif |
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Users of the data should acknowledge the original authors of the
structural data.