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Information card for entry 7123383
Preview
| Coordinates | 7123383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | triangeliphthalide A |
|---|---|
| Formula | C36 H40 O6 |
| Calculated formula | C36 H40 O6 |
| Title of publication | Triangeliphthalides A-D: Bioactive Phthalide Trimers with New Skeletons from Angelica sinensis and Their Production Mechanism |
| Authors of publication | Zou, Jian; Chen, Guo-Dong; Zhao, Huan; Wang, Xiao-Xia; Zhang, Zaijun; Qu, Yi-Bo; He, Rong-Rong; So, Kwok-Fai; Yao, Xin-Sheng; Gao, Hao |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.1653 ± 0.0012 Å |
| b | 27.523 ± 0.002 Å |
| c | 8.5035 ± 0.0007 Å |
| α | 90° |
| β | 102.221 ± 0.009° |
| γ | 90° |
| Cell volume | 3011.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123383.cif |
| 214901 | 2019-05-03 | cif/ Adding structures of 7123383 via cif-deposit CGI script. |
7123383.cif |
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Users of the data should acknowledge the original authors of the
structural data.