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Information card for entry 7158027
Preview
| Coordinates | 7158027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H18 N2 O4 |
|---|---|
| Calculated formula | C18 H18 N2 O4 |
| SMILES | O=C(OCC)c1[nH]nc2c1c1c(C2O)ccc2c1cccc2.OC |
| Title of publication | A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles. |
| Authors of publication | Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4118 - 4125 |
| a | 8.755 ± 0.003 Å |
| b | 9.844 ± 0.003 Å |
| c | 10.982 ± 0.004 Å |
| α | 111.2 ± 0.012° |
| β | 98.323 ± 0.012° |
| γ | 105.109 ± 0.011° |
| Cell volume | 821.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7158027.cif |
| 266170 | 2021-06-05 | cif/ Updating files of 7158027 Original log message: Adding full bibliography for 7158027.cif. |
7158027.cif |
| 264272 | 2021-04-17 | cif/ Adding structures of 7158027 via cif-deposit CGI script. |
7158027.cif |
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Users of the data should acknowledge the original authors of the
structural data.