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Information card for entry 4035836
Preview
| Coordinates | 4035836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 N2 |
|---|---|
| Calculated formula | C22 H20 N2 |
| SMILES | c1(ccccc1)c1cc2n(C)c3c(c2c2NCCCc12)cccc3 |
| Title of publication | Transition-Metal-Free Access to Pyridocarbazoles from 2-Alkynylindole-3-carbaldehydes via Azomethine Ylide. |
| Authors of publication | Verma, Shalini; Mishra, Pawan K.; Kumar, Manoj; Sur, Souvik; Verma, Akhilesh K. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 12 |
| Pages of publication | 6650 - 6663 |
| a | 13.7079 ± 0.0006 Å |
| b | 5.7149 ± 0.0002 Å |
| c | 21.2609 ± 0.0009 Å |
| α | 90° |
| β | 102.121 ± 0.003° |
| γ | 90° |
| Cell volume | 1628.43 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227258 (current) | 2019-11-11 | cif/ Adding structures of 4035836 via cif-deposit CGI script. |
4035836.cif |
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Users of the data should acknowledge the original authors of the
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