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Information card for entry 4035891
Preview
| Coordinates | 4035891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 N2 |
|---|---|
| Calculated formula | C28 H24 N2 |
| SMILES | c1cc2c(c3c(cccc3)n2CC)cc1c1ccc2c(c3c(cccc3)n2CC)c1 |
| Title of publication | Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile. |
| Authors of publication | Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 1 |
| Pages of publication | 73 - 93 |
| a | 22.6011 ± 0.0014 Å |
| b | 22.6011 ± 0.0014 Å |
| c | 16.3728 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8363.4 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227292 (current) | 2019-11-11 | cif/ Adding structures of 4035891 via cif-deposit CGI script. |
4035891.cif |
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