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Information card for entry 4038408
Preview
| Coordinates | 4038408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 F N O2 |
|---|---|
| Calculated formula | C26 H20 F N O2 |
| Title of publication | Base Mediated Cyclopentannulation of Ynones with Amino Crotonates for Regio- & Stereoselective Synthesis of Pentafulvenes and Cyclopenta[c]quinolines. |
| Authors of publication | Nagireddy, Attunuri; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.92 ± 0.008 Å |
| b | 13.754 ± 0.012 Å |
| c | 17.019 ± 0.017 Å |
| α | 90° |
| β | 103.67 ± 0.02° |
| γ | 90° |
| Cell volume | 2029 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0855 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252361 (current) | 2020-05-27 | cif/ Adding structures of 4038408 via cif-deposit CGI script. |
4038408.cif |
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Users of the data should acknowledge the original authors of the
structural data.