Information card for entry 2203226

Structure parameters

• 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 ų
• 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