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Information card for entry 4038862
Preview
| Coordinates | 4038862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 O3 |
|---|---|
| Calculated formula | C15 H16 O3 |
| Title of publication | Total Synthesis and Structure Revision of (-)-Avicennone C. |
| Authors of publication | Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 24.0111 ± 0.0015 Å |
| b | 24.0111 ± 0.0015 Å |
| c | 22.65 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11309 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.1835 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256960 (current) | 2020-10-03 | cif/ Adding structures of 4038862 via cif-deposit CGI script. |
4038862.cif |
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Users of the data should acknowledge the original authors of the
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