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Information card for entry 1577484
Preview
| Coordinates | 1577484.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5-Cyclopropyl-1-[(4-methylbenzene)sulfonyl]indole-2-carbaldehyde |
|---|---|
| Formula | C19 H17 N O3 S |
| Calculated formula | C19 H17 N O3 S |
| Title of publication | 5-Cyclopropyl-1-[(4-methylbenzene)sulfonyl]indole-2-carbaldehyde |
| Authors of publication | Avula, Veeranjaneyulu; Keerthana V.K.,; Yash, N.D.; Umamaheshwar S.,; Govindappa, Nagendra; Muthukumaran, Jayaraman; Arumugam, Kuppuswamy; Surya Prakash Rao H., |
| Journal of publication | IUCrData |
| Year of publication | 2026 |
| Journal volume | 11 |
| Journal issue | 9 |
| a | 9.9586 ± 0.0004 Å |
| b | 21.0209 ± 0.0009 Å |
| c | 7.9204 ± 0.0003 Å |
| α | 90° |
| β | 99.126 ± 0.002° |
| γ | 90° |
| Cell volume | 1637.06 ± 0.11 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| 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 | 0.1035 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306887 (current) | 2026-09-15 | cif/ Adding structures of 1577484 via cif-deposit CGI script. |
1577484.cif |
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