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Information card for entry 7240373
Preview
| Coordinates | 7240373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H23 N O |
|---|---|
| Calculated formula | C24 H23 N O |
| SMILES | C1c2ccccc2C(=C\c2ccc(cc2)OC)\CN1Cc1ccccc1 |
| Title of publication | Substrate controlled, regioselective carbopalladation for the one-pot synthesis of C4-substituted tetrahydroisoquinoline analogues |
| Authors of publication | Krishna Reddy, Singarajanahalli Mundarinti; Suresh, Pavithira; Thamotharan, Subbiah; Nanubolu, Jagadeesh Babu; Suresh, Surisetti; Selva Ganesan, Subramaniapillai |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 27 |
| Pages of publication | 15794 - 15799 |
| a | 6.1269 ± 0.0007 Å |
| b | 9.077 ± 0.0012 Å |
| c | 17.366 ± 0.002 Å |
| α | 79.554 ± 0.004° |
| β | 84.737 ± 0.004° |
| γ | 81.243 ± 0.005° |
| Cell volume | 936.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240373.cif |
| 257986 | 2020-10-06 | cif/ Updating files of 7240373 Original log message: Adding full bibliography for 7240373.cif. |
7240373.cif |
| 251005 | 2020-04-22 | cif/ Adding structures of 7240373 via cif-deposit CGI script. |
7240373.cif |
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Users of the data should acknowledge the original authors of the
structural data.