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Information card for entry 1555635
Preview
| Coordinates | 1555635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 N2 O2 |
|---|---|
| Calculated formula | C20 H26 N2 O2 |
| SMILES | O(C(=O)[C@@]1(CCCN2[C@@H](c3[nH]c4c(c3CC2)cccc4)C1)CC)C |
| Title of publication | Asymmetric Total Synthesis of Kopsiyunnanine K, a Monoterpenoid Indole Alkaloid with a Rearranged Skeleton. |
| Authors of publication | Tokuda, Ryoko; Okamoto, Yoshiki; Koyama, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 14 |
| Pages of publication | 3490 - 3493 |
| a | 9.01057 ± 0.00016 Å |
| b | 10.9727 ± 0.0002 Å |
| c | 17.5326 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1733.45 ± 0.06 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555635.cif |
| 238967 | 2019-11-24 | cif/ Adding structures of 1555635 via cif-deposit CGI script. |
1555635.cif |
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Users of the data should acknowledge the original authors of the
structural data.