Information card for entry 2243063

Structure parameters

• Chemical name: (3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-Hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate
• Formula: C32 H51 N O6
• Calculated formula: C32 H51 N O6
• Title of publication: Absolute structure of (3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate from 62-year-old crystals
• Authors of publication: Suescun, Leopoldo; Heinzen, Horacio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• Pages of publication: 1348 - 1351
• a: 34.882 ± 0.004 Å
• b: 6.5332 ± 0.0011 Å
• c: 13.6021 ± 0.0016 Å
• α: 90°
• β: 100.599 ± 0.014°
• γ: 90°
• Cell volume: 3046.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes