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Information card for entry 1577456
Preview
| Coordinates | 1577456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H27 N O3 S |
|---|---|
| Calculated formula | C28 H27 N O3 S |
| Title of publication | Stereoselective Dearomative Formal [3+2] cycloaddition of Indole with Allenols: Access to Structurally Diverse Cyclopenta[b]indoles |
| Authors of publication | Shaikh, Aslam C.; Kaur, Kavneet; SINGH, PUJA; Thombare, Rahul D.; P., Adithya K.; Mane, Manoj V. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 11.19 ± 0.002 Å |
| b | 7.9615 ± 0.0014 Å |
| c | 13.43 ± 0.002 Å |
| α | 90° |
| β | 99.689 ± 0.006° |
| γ | 90° |
| Cell volume | 1179.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1178 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306676 (current) | 2026-06-29 | cif/ Adding structures of 1577456 via cif-deposit CGI script. |
1577456.cif |
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Users of the data should acknowledge the original authors of the
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