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Information card for entry 1555184
Preview
| Coordinates | 1555184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 N O3 |
|---|---|
| Calculated formula | C16 H19 N O3 |
| Title of publication | Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids |
| Authors of publication | Zhong, Jiaxin; He, Haibing; Gao, Shuanhu |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 22 |
| Pages of publication | 3781 |
| a | 11.4043 ± 0.0011 Å |
| b | 9.8807 ± 0.001 Å |
| c | 25.367 ± 0.003 Å |
| α | 90° |
| β | 93.04 ± 0.003° |
| γ | 90° |
| Cell volume | 2854.4 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1091 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238375 (current) | 2019-11-24 | cif/ Adding structures of 1555184, 1555185, 1555186 via cif-deposit CGI script. |
1555184.cif |
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Users of the data should acknowledge the original authors of the
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