Information card for entry 2102538

Structure parameters

• Chemical name: 1-(perfluorobutyl)undecanoic acid
• Formula: C15 H21 F9 O2
• Calculated formula: C15 H21 F9 O2
• Title of publication: Packing conflicts in the <i>Z</i>' = 5 structure of CF~3~(CF~2~)~3~(CH~2~)~10~COOH
• Authors of publication: Lehmler, Hans-Joachim; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 325 - 332
• a: 11.253 ± 0.002 Å
• b: 13.75 ± 0.002 Å
• c: 29.289 ± 0.006 Å
• α: 78.01 ± 0.02°
• β: 89.72 ± 0.02°
• γ: 81.16 ± 0.02°
• Cell volume: 4378.6 ± 1.4 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.1305
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No