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Information card for entry 7244297
Preview
| Coordinates | 7244297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 O3 |
|---|---|
| Calculated formula | C23 H26 O3 |
| SMILES | O=c1oc2c(c(c1Cc1ccccc1)C)cc(CCCCCC)c(O)c2 |
| Title of publication | Mechanochemical synthesis of coumarins via Pechmann condensation under solvent-free conditions: an easy access to coumarins and annulated pyrano[2,3-f] and [3,2-f]indoles |
| Authors of publication | Sharapov, Ainur D.; Fatykhov, Ramil F.; Khalymbadzha, Igor A.; Sharutin, Vladimir V.; Santra, Sougata; Zyryanov, Grigory V.; Chupakhin, Oleg N.; Ranu, Brindaban C. |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 2429 - 2437 |
| a | 11.353 ± 0.008 Å |
| b | 13.367 ± 0.008 Å |
| c | 12.835 ± 0.007 Å |
| α | 90° |
| β | 100.25 ± 0.02° |
| γ | 90° |
| Cell volume | 1917 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.212 |
| Weighted residual factors for all reflections included in the refinement | 0.2405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274990 (current) | 2022-05-05 | cif/ Updating files of 7244297 Original log message: Adding full bibliography for 7244297.cif. |
7244297.cif |
| 272233 | 2022-01-26 | cif/ Adding structures of 7244297 via cif-deposit CGI script. |
7244297.cif |
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Users of the data should acknowledge the original authors of the
structural data.