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Information card for entry 1546363
Preview
| Coordinates | 1546363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 N2 |
|---|---|
| Calculated formula | C19 H22 N2 |
| SMILES | [nH]1c2ccccc2c2CCN3[C@H](c12)C[C@H]1[C@H](C3)CC=CC1 |
| Title of publication | A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane. |
| Authors of publication | Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 13 |
| Pages of publication | 3592 - 3595 |
| a | 6.823 ± 0.0019 Å |
| b | 7.936 ± 0.002 Å |
| c | 14.34 ± 0.004 Å |
| α | 90° |
| β | 97.758 ± 0.007° |
| γ | 90° |
| Cell volume | 769.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200737 (current) | 2017-09-12 | cif/ Updating files of 1546362, 1546363, 1546364 Original log message: Adding full bibliography for 1546362--1546364.cif. |
1546363.cif |
| 198052 | 2017-06-22 | cif/ Adding structures of 1546363 via cif-deposit CGI script. |
1546363.cif |
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Users of the data should acknowledge the original authors of the
structural data.