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Information card for entry 8000150
Preview
| Coordinates | 8000150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 O5 |
|---|---|
| Calculated formula | C20 H28 O5 |
| SMILES | O[C@]12[C@@]34CO[C@](O)(C(=O)C2=C[C@@](CC1)(C)C=C)[C@@]4(O)C(C)(CCC3)C |
| Title of publication | Four Pimarane Diterpenes from Marine Fungus: Chloroform Incorporated in Crystal Lattice for Absolute Configuration Analysis by X-ray |
| Authors of publication | Yoshida, Sanae; Kito, Keijiro; Ooi, Takashi; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 11 |
| Pages of publication | 1386 |
| a | 22.397 ± 0.009 Å |
| b | 10.14 ± 0.003 Å |
| c | 8.257 ± 0.003 Å |
| α | 90° |
| β | 106.03 ± 0.03° |
| γ | 90° |
| Cell volume | 1802.3 ± 1.1 Å3 |
| Cell temperature | 173.1 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 significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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