Information card for entry 7247707

Structure parameters

• Common name: undecane
• Chemical name: n-undecane
• Formula: C11 H24
• Calculated formula: C11 H24
• Title of publication: Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes
• Authors of publication: Poręba, Tomasz; Kicior, Inga
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 47
• Pages of publication: 33305 - 33317
• a: 4.1808 ± 0.0005 Å
• b: 4.7113 ± 0.0003 Å
• c: 29.53 ± 0.02 Å
• α: 93.609 ± 0.019°
• β: 90.41 ± 0.02°
• γ: 107.274 ± 0.009°
• Cell volume: 554.1 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Cell measurement pressure: 170000 kPa
• Ambient diffracton pressure: 170000 kPa
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No