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Information card for entry 4032373
Preview
| Coordinates | 4032373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,3-dimethoxy-11H-indolo[3,2-c]quinoline |
|---|---|
| Formula | C17 H14 N2 O2 |
| Calculated formula | C17 H14 N2 O2 |
| SMILES | c12c(c3c(c4c([nH]3)cccc4)cn1)cc(c(c2)OC)OC |
| Title of publication | One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine. |
| Authors of publication | Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 6 |
| Pages of publication | 3011 - 3018 |
| a | 20.00573 ± 0.00015 Å |
| b | 20.00573 ± 0.00015 Å |
| c | 13.20742 ± 0.00018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5286 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 110 |
| Hermann-Mauguin space group symbol | I 41 c d |
| Hall space group symbol | I 4bw -2c |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4032373.cif |
| 194855 | 2017-04-04 | cif/ Updating files of 4032372, 4032373 Original log message: Adding full bibliography for 4032372--4032373.cif. |
4032373.cif |
| 194131 | 2017-03-10 | cif/ Adding structures of 4032372, 4032373 via cif-deposit CGI script. |
4032373.cif |
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Users of the data should acknowledge the original authors of the
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