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Information card for entry 2011662
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| Coordinates | 2011662.cif |
|---|---|
| Structure factors | 2011662.hkl |
| Original IUCr paper | HTML |
| Common name | alpha-Onocerin |
|---|---|
| Chemical name | 8(26),14(27)-Onoceradiene-3,21-diol |
| Formula | C30.5 H50.5 Cl1.5 O2 |
| Calculated formula | C30.5 H50.5 Cl1.5 O2 |
| SMILES | C=C1CC[C@H]2[C@@]([C@@H]1CC[C@@H]1C(=C)CC[C@H]3[C@@]1(C)CC[C@H](C3(C)C)O)(C)CC[C@H](C2(C)C)O.ClC(Cl)Cl |
| Title of publication | α-Onocerin chloroform hemisolvate |
| Authors of publication | Fröhlich, Roland; Pauli, Guido F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1476 - 1477 |
| a | 7.47 ± 0.001 Å |
| b | 14.681 ± 0.002 Å |
| c | 27.079 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2969.7 ± 0.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.127 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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