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Information card for entry 1555112
Preview
| Coordinates | 1555112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Arboridinine |
|---|---|
| Formula | C19 H22 N2 O |
| Calculated formula | C19 H22 N2 O |
| SMILES | C12=Nc3c([C@@]41CCN1C[C@]2(C(=C)[C@]([C@@H]4C)(C1)O)C)cccc3 |
| Title of publication | Arboridinine, a Pentacyclic Indole Alkaloid with a New Cage Carbon-Nitrogen Skeleton Derived from a Pericine Precursor. |
| Authors of publication | Wong, Suet-Pick; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 14 |
| Pages of publication | 3628 - 3631 |
| a | 7.4987 ± 0.0002 Å |
| b | 12.2482 ± 0.0003 Å |
| c | 16.8063 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1543.58 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| 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. |
1555112.cif |
| 238327 | 2019-11-24 | cif/ Adding structures of 1555112 via cif-deposit CGI script. |
1555112.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.