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Information card for entry 1520572
Preview
| Coordinates | 1520572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H56 O19 |
|---|---|
| Calculated formula | C43 H56 O19 |
| Title of publication | Neolignans with a Rare 2-Oxaspiro[4.5]deca-6,9-dien-8-one Motif from the Stem Bark of Cinnamomum subavenium. |
| Authors of publication | Lai, Yongji; Liu, Tingting; Sa, Rongjian; Wei, Xialan; Xue, Yongbo; Wu, Zhaodi; Luo, Zengwei; Xiang, Ming; Zhang, Yonghui; Yao, Guangmin |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 7 |
| Pages of publication | 1740 - 1744 |
| a | 8.6734 ± 0.0006 Å |
| b | 11.1397 ± 0.0007 Å |
| c | 11.8133 ± 0.0008 Å |
| α | 92.575 ± 0.002° |
| β | 96.635 ± 0.002° |
| γ | 108.711 ± 0.002° |
| Cell volume | 1069.74 ± 0.12 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520572.cif |
| 154670 | 2015-09-06 | cif/ Updating files of 1520572 Original log message: Adding full bibliography for 1520572.cif. |
1520572.cif |
| 139358 | 2015-06-19 | cif/ Adding structures of 1520572 via cif-deposit CGI script. |
1520572.cif |
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Users of the data should acknowledge the original authors of the
structural data.