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Information card for entry 1557314
Preview
| Coordinates | 1557314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H40 O4 |
|---|---|
| Calculated formula | C33 H40 O4 |
| SMILES | O=C(c1ccccc1)C1=C2O[C@]3([C@H]4[C@]2(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)C([C@H](C4)CC3)(C)C)C |
| Title of publication | Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel. |
| Authors of publication | Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2020 |
| a | 9.4737 ± 0.0002 Å |
| b | 15.6173 ± 0.0003 Å |
| c | 18.4421 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2728.58 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248139 (current) | 2020-02-14 | cif/ Adding structures of 1557314 via cif-deposit CGI script. |
1557314.cif |
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Users of the data should acknowledge the original authors of the
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