Information card for entry 2240165

Structure parameters

• Common name: Hydrocortisone 17-butyrate
• Chemical name: (8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl butanoate
• Formula: C25 H36 O6
• Calculated formula: C25 H36 O6
• Title of publication: Crystal structure of hydrocortisone 17-butyrate
• Authors of publication: Zhu, Yu; Shen, Wei; Wang, Hai-li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1239 - o1240
• a: 9.05738 ± 0.00008 Å
• b: 11.87633 ± 0.00009 Å
• c: 21.13465 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2273.42 ± 0.03 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes