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Information card for entry 7058955
Preview
| Coordinates | 7058955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H27 N3 O6 |
|---|---|
| Calculated formula | C24 H27 N3 O6 |
| Title of publication | One-pot Synthesis of Benzotripyrrole Derivatives from 1H-pyrroles |
| Authors of publication | Pandeeti, Obaiah; Kumar, Sathish B.; Panda, Pradeepta |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 47 |
| Pages of publication | 18437 - 18441 |
| a | 7.5562 ± 0.0003 Å |
| b | 7.577 ± 0.0003 Å |
| c | 19.0345 ± 0.0008 Å |
| α | 80.335 ± 0.002° |
| β | 85.586 ± 0.002° |
| γ | 86.024 ± 0.001° |
| Cell volume | 1069.37 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058955.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7058955.cif |
| 220530 | 2019-10-30 | cif/ Adding structures of 7058955, 7058956 via cif-deposit CGI script. |
7058955.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.