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Information card for entry 7157339
Preview
| Coordinates | 7157339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H18 N2 O |
|---|---|
| Calculated formula | C19 H18 N2 O |
| Title of publication | Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole. |
| Authors of publication | Chandrasekhar, Attoor; Sankararaman, Sethuraman |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 8 |
| Pages of publication | 1612 - 1622 |
| a | 10.6986 ± 0.0005 Å |
| b | 11.3012 ± 0.0005 Å |
| c | 14.4283 ± 0.0006 Å |
| α | 81.323 ± 0.003° |
| β | 89.73 ± 0.003° |
| γ | 61.927 ± 0.002° |
| Cell volume | 1517.22 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0708 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157339.cif |
| 249019 | 2020-03-05 | cif/ Updating files of 7157339, 7157340, 7157341 Original log message: Adding full bibliography for 7157339--7157341.cif. |
7157339.cif |
| 247541 | 2020-02-04 | cif/ Adding structures of 7157339, 7157340, 7157341 via cif-deposit CGI script. |
7157339.cif |
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Users of the data should acknowledge the original authors of the
structural data.