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Information card for entry 2203226
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Formula | C79 H83 N O10 |
|---|---|
| Calculated formula | C79 H83 N O10 |
| SMILES | O=C1CCCC(=C1)C(=O)N(CC=C)CCC.OC([C@@H]1OC2(O[C@H]1C(O)(c1ccccc1)c1ccccc1)CCCC2)(c1ccccc1)c1ccccc1.OC([C@@H]1OC2(O[C@H]1C(O)(c1ccccc1)c1ccccc1)CCCC2)(c1ccccc1)c1ccccc1 |
| Title of publication | (<i>R,R</i>)-(–)-<i>trans</i>-1,4-Dioxaspiro[4,4]nonane-2,3-diylbis(diphenylmethanol)–<i>N</i>-allyl-<i>N</i>-propyl-3-oxocyclohexene-1-carboxamide (2/1) |
| Authors of publication | Ohba, Shigeru; Miyamoto, Hisakazu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | o216 - o218 |
| a | 34.738 ± 0.004 Å |
| b | 9.5934 ± 0.0012 Å |
| c | 10.0715 ± 0.0019 Å |
| α | 90.278 ± 0.012° |
| β | 93.993 ± 0.011° |
| γ | 90.021 ± 0.01° |
| Cell volume | 3348.2 ± 0.9 Å3 |
| Cell temperature | 248 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.2223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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