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Information card for entry 2200121
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| Coordinates | 2200121.cif |
|---|---|
| Structure factors | 2200121.hkl |
| Original IUCr paper | HTML |
| Chemical name | fern-9(11)-en-6α-ol–methanol (1/1) |
|---|---|
| Formula | C31 H54 O2 |
| Calculated formula | C31 H54 O2 |
| SMILES | C1CCC([C@@H]2[C@H](C[C@H]3C(=CC[C@@]4([C@@]3(CC[C@]3([C@H]4CC[C@@H]3C(C)C)C)C)C)[C@@]12C)O)(C)C.OC |
| Title of publication | Fern-9(11)-en-6α-ol–methanol (1/1) |
| Authors of publication | Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Venkateswarlu, Yenamandra; Reddy, V. L. Niranjan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | o228 - o230 |
| a | 11.505 ± 0.003 Å |
| b | 8.484 ± 0.002 Å |
| c | 14.616 ± 0.004 Å |
| α | 90° |
| β | 99.42 ± 0.03° |
| γ | 90° |
| Cell volume | 1407.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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