Information card for entry 2230959

Structure parameters

• Chemical name: (<i>Z</i>)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]- 2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan- 9(1a<i>H</i>)-one
• Formula: C19 H29 N O5
• Calculated formula: C19 H29 N O5
• SMILES: C1=C([C@H](C[C@@H]2[C@H](C(=O)O[C@H]2[C@H]2[C@@](CC1)(C)O2)CN1CCOCC1)O)C
• Title of publication: (<i>Z</i>)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-9(1a<i>H</i>)-one
• Authors of publication: Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1698 - o1699
• a: 11.7539 ± 0.0003 Å
• b: 6.8304 ± 0.0002 Å
• c: 11.8585 ± 0.0003 Å
• α: 90°
• β: 101.328 ± 0.002°
• γ: 90°
• Cell volume: 933.5 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes