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Information card for entry 1518287
Preview
| Coordinates | 1518287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H27 N O |
|---|---|
| Calculated formula | C32 H27 N O |
| SMILES | c1(C(=C\C(=C)c2ccccc2)\c2c(n(c3c2cccc3)C)c2ccccc2)ccc(OC)cc1 |
| Title of publication | Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines. |
| Authors of publication | Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 6060 |
| a | 12.1929 ± 0.0009 Å |
| b | 8.855 ± 0.0007 Å |
| c | 22.6406 ± 0.0017 Å |
| α | 90° |
| β | 93.615 ± 0.001° |
| γ | 90° |
| Cell volume | 2439.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518287.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518287.cif |
| 131540 | 2015-02-08 | cif/ Updating files of 1518287, 1518288, 1518289 Original log message: Adding full bibliography for 1518287--1518289.cif. |
1518287.cif |
| 127760 | 2014-11-21 | cif/ Adding structures of 1518287, 1518288, 1518289 via cif-deposit CGI script. |
1518287.cif |
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