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Information card for entry 4032372
Preview
| Coordinates | 4032372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-methoxy-11H-indolo[3,2-c]quinoline |
|---|---|
| Formula | C16 H12 N2 O |
| Calculated formula | C16 H12 N2 O |
| SMILES | c12c3[nH]c4c(c3cnc2ccc(OC)c1)cccc4 |
| 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 | 5.1053 ± 0.0003 Å |
| b | 18.1238 ± 0.0012 Å |
| c | 12.8535 ± 0.0007 Å |
| α | 90° |
| β | 93.383 ± 0.006° |
| γ | 90° |
| Cell volume | 1187.23 ± 0.12 Å3 |
| Cell temperature | 292.96 ± 0.15 K |
| Ambient diffraction temperature | 292.96 ± 0.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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. |
4032372.cif |
| 194855 | 2017-04-04 | cif/ Updating files of 4032372, 4032373 Original log message: Adding full bibliography for 4032372--4032373.cif. |
4032372.cif |
| 194131 | 2017-03-10 | cif/ Adding structures of 4032372, 4032373 via cif-deposit CGI script. |
4032372.cif |
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Users of the data should acknowledge the original authors of the
structural data.