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Information card for entry 4128229
Preview
| Coordinates | 4128229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 N2 O |
|---|---|
| Calculated formula | C18 H20 N2 O |
| SMILES | O=C1[C@H]([C@]23c4c(N=C2[C@]2(N(CC[C@@H]12)CC3)C)cccc4)C |
| Title of publication | Total Synthesis of (+)-Arborisidine. |
| Authors of publication | Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 19 |
| Pages of publication | 7715 - 7720 |
| a | 6.9349 ± 0.0003 Å |
| b | 7.4039 ± 0.0003 Å |
| c | 13.677 ± 0.0005 Å |
| α | 90° |
| β | 91.735 ± 0.002° |
| γ | 90° |
| Cell volume | 701.93 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221358 (current) | 2019-11-03 | cif/ Adding structures of 4128229 via cif-deposit CGI script. |
4128229.cif |
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