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Information card for entry 1552682
Preview
| Coordinates | 1552682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Arbophyllidine |
|---|---|
| Formula | C19 H20 N2 |
| Calculated formula | C19 H20 N2 |
| SMILES | c12c(C[C@@H]3[C@]4(CCN3CC\4=C\C)C1=C)c1ccccc1[nH]2 |
| Title of publication | A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>. |
| Authors of publication | Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 7 |
| Pages of publication | 1902 - 1907 |
| a | 6.5325 ± 0.0003 Å |
| b | 7.8576 ± 0.0005 Å |
| c | 8.6225 ± 0.0005 Å |
| α | 109.428 ± 0.006° |
| β | 94.781 ± 0.004° |
| γ | 113.321 ± 0.005° |
| Cell volume | 371.29 ± 0.05 Å3 |
| Cell temperature | 100.2 ± 0.9 K |
| Ambient diffraction temperature | 100.2 ± 0.9 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1552682.cif |
| 222207 | 2019-11-04 | cif/ Adding structures of 1552682 via cif-deposit CGI script. |
1552682.cif |
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Users of the data should acknowledge the original authors of the
structural data.