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Information card for entry 7238799
Preview
| Coordinates | 7238799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H15 N O2 |
|---|---|
| Calculated formula | C14 H15 N O2 |
| Title of publication | Silver(i)-promoted oxidative cyclisation to pyrrolo[2,1-a]isoquinolines and application to the synthesis of (±)-crispine A |
| Authors of publication | Agarwal, Sameer; Kataeva, Olga; Schmidt, Ulrike; Knölker, Hans-Joachim |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1089 |
| a | 7.082 ± 0.001 Å |
| b | 8.632 ± 0.001 Å |
| c | 10.345 ± 0.001 Å |
| α | 65.37 ± 0.01° |
| β | 88.98 ± 0.01° |
| γ | 83.89 ± 0.01° |
| Cell volume | 571.36 ± 0.13 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 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 | 0.0735 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238799.cif |
| 244360 | 2019-11-28 | cif/ Adding structures of 7238799 via cif-deposit CGI script. |
7238799.cif |
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Users of the data should acknowledge the original authors of the
structural data.