Information card for entry 2240657

Structure parameters

• Chemical name: 5-{3-[2,6-Dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-<i>N</i>-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate
• Formula: C58 H86 N8 O11
• Calculated formula: C58 H86 N8 O11
• Title of publication: Crystal structure of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-<i>N</i>-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate
• Authors of publication: Salorinne, K.; Lahtinen, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 505 - 508
• a: 6.7137 ± 0.0003 Å
• b: 14.0263 ± 0.0005 Å
• c: 16.6757 ± 0.0008 Å
• α: 113.889 ± 0.004°
• β: 94.515 ± 0.004°
• γ: 90.976 ± 0.004°
• Cell volume: 1429.28 ± 0.12 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes