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Information card for entry 7227550
Preview
| Coordinates | 7227550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | asarolignan B |
|---|---|
| Formula | C49 H78 O23.9 |
| Calculated formula | C49 H78 O23.9 |
| Title of publication | Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii |
| Authors of publication | Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 14 |
| Pages of publication | 8512 |
| a | 14.3231 ± 0.0005 Å |
| b | 23.3774 ± 0.0006 Å |
| c | 16.4367 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5503.6 ± 0.3 Å3 |
| Cell temperature | 107 K |
| Ambient diffraction temperature | 107 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191008 (current) | 2017-01-27 | cif/ Adding structures of 7227549, 7227550, 7227551, 7227552 via cif-deposit CGI script. |
7227550.cif |
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Users of the data should acknowledge the original authors of the
structural data.