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Information card for entry 4038695
Preview
| Coordinates | 4038695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H26 O2 |
|---|---|
| Calculated formula | C38 H26 O2 |
| Title of publication | Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy. |
| Authors of publication | Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 12.7378 ± 0.0006 Å |
| b | 9.8142 ± 0.0005 Å |
| c | 22.302 ± 0.0011 Å |
| α | 90° |
| β | 98.626 ± 0.002° |
| γ | 90° |
| Cell volume | 2756.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255328 (current) | 2020-08-15 | cif/ Adding structures of 4038695 via cif-deposit CGI script. |
4038695.cif |
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Users of the data should acknowledge the original authors of the
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