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Information card for entry 7219980
Preview
| Coordinates | 7219980.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H19 N O2 |
|---|---|
| Calculated formula | C22 H19 N O2 |
| SMILES | c1(cn(c2c1cccc2)C)[C@H]1C2=C(Oc3c1cccc3)CCCC2=O |
| Title of publication | Oleic acid: a benign Brønsted acidic catalyst for densely substituted indole derivative synthesis |
| Authors of publication | Ganesan, Asaithampi; Kothandapani, Jagatheeswaran; Nanubolu, Jagadeesh Babu; Ganesan, Subramaniapillai Selva |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 36 |
| Pages of publication | 28597 |
| a | 8.4025 ± 0.0006 Å |
| b | 8.9518 ± 0.0006 Å |
| c | 22.4061 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1685.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219980.cif |
| 180530 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99. |
7219980.cif |
| 134335 | 2015-03-24 | cif/ Adding structures of 7219980 via cif-deposit CGI script. |
7219980.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.