Information card for entry 7247706

Structure parameters

• Common name: dodecane
• Chemical name: n-dodecane
• Formula: C12 H26
• Calculated formula: C12 H26
• 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: 4.2522 ± 0.0009 Å
• b: 4.7701 ± 0.0011 Å
• c: 15.904 ± 0.006 Å
• α: 88.9 ± 0.03°
• β: 84.67 ± 0.02°
• γ: 73.309 ± 0.019°
• Cell volume: 307.65 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 ± 1 K
• Cell measurement pressure: 150000 kPa
• Ambient diffracton pressure: 150000 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: 0.0953
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No