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Information card for entry 4038837
Preview
| Coordinates | 4038837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H27 N O3 |
|---|---|
| Calculated formula | C28 H27 N O3 |
| Title of publication | Biomimetically Inspired, One-Step Synthesis of Exotine A and Exotine B. |
| Authors of publication | Lepovitz, Lance T.; Martin, Stephen F. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 11.4662 ± 0.0015 Å |
| b | 13.068 ± 0.002 Å |
| c | 16.186 ± 0.002 Å |
| α | 82.877 ± 0.009° |
| β | 88.111 ± 0.009° |
| γ | 79.015 ± 0.011° |
| Cell volume | 2362.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.131 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.2133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256686 (current) | 2020-09-24 | cif/ Adding structures of 4038837 via cif-deposit CGI script. |
4038837.cif |
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Users of the data should acknowledge the original authors of the
structural data.