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Information card for entry 7157349
Preview
| Coordinates | 7157349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H21 N |
|---|---|
| Calculated formula | C16 H21 N |
| SMILES | n1c(c(cc2c1cc(c(c2)C)C)CC)CCC |
| Title of publication | Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines. |
| Authors of publication | Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 1785 - 1793 |
| a | 7.4928 ± 0.0007 Å |
| b | 8.7755 ± 0.0011 Å |
| c | 11.1633 ± 0.0011 Å |
| α | 84.247 ± 0.009° |
| β | 78.666 ± 0.008° |
| γ | 76.675 ± 0.01° |
| Cell volume | 699.17 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1153 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
7157349.cif |
| 257909 | 2020-10-06 | cif/ Updating files of 7157349 Original log message: Adding full bibliography for 7157349.cif. |
7157349.cif |
| 249048 | 2020-03-05 | cif/ Updating files of 7157349 Original log message: Adding full bibliography for 7157349.cif. |
7157349.cif |
| 248115 | 2020-02-13 | cif/ Adding structures of 7157349 via cif-deposit CGI script. |
7157349.cif |
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Users of the data should acknowledge the original authors of the
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