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Information card for entry 1553610
Preview
| Coordinates | 1553610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H46 O11 |
|---|---|
| Calculated formula | C43 H46 O11 |
| SMILES | O(c1cc(OC(C)C)cc2OC(=C(C(=O)c12)c1c(OC)cc(OC)c2c1OC(=CC2=O)c1ccc(OC(C)C)cc1)c1ccc(OC)cc1)C(C)C.OC |
| Title of publication | Total synthesis of I3,II8-biapigenin and ridiculuflavone A |
| Authors of publication | Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 578 |
| a | 15.1534 ± 0.001 Å |
| b | 15.8118 ± 0.001 Å |
| c | 17.7296 ± 0.001 Å |
| α | 68.774 ± 0.004° |
| β | 76.898 ± 0.005° |
| γ | 79.352 ± 0.005° |
| Cell volume | 3832 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
1553610.cif |
| 235203 | 2019-11-23 | cif/ Adding structures of 1553609, 1553610 via cif-deposit CGI script. |
1553610.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.