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Information card for entry 1553281
Preview
| Coordinates | 1553281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H92 O13 |
|---|---|
| Calculated formula | C68.5 H92 O13 |
| Title of publication | Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi. |
| Authors of publication | Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 4 |
| Pages of publication | 885 - 895 |
| a | 18.0066 ± 0.0003 Å |
| b | 13.5854 ± 0.0002 Å |
| c | 13.2739 ± 0.0002 Å |
| α | 90° |
| β | 93.898 ± 0.001° |
| γ | 90° |
| Cell volume | 3239.64 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234047 (current) | 2019-11-23 | cif/ Adding structures of 1553281 via cif-deposit CGI script. |
1553281.cif |
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