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Information card for entry 4035537
Preview
| Coordinates | 4035537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H19 N |
|---|---|
| Calculated formula | C30 H19 N |
| SMILES | n1(c2ccccc2)c2c(c3c(c4c2cccc4)cccc3)c2cc3c(cc12)cccc3 |
| Title of publication | Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes. |
| Authors of publication | Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 15 |
| Pages of publication | 7994 - 8002 |
| a | 25.919 ± 0.001 Å |
| b | 5.9148 ± 0.0002 Å |
| c | 26.2477 ± 0.0009 Å |
| α | 90° |
| β | 107.283 ± 0.004° |
| γ | 90° |
| Cell volume | 3842.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4035537.cif |
| 226985 | 2019-11-11 | cif/ Adding structures of 4035537 via cif-deposit CGI script. |
4035537.cif |
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Users of the data should acknowledge the original authors of the
structural data.