Information card for entry 7244793

Structure parameters

• Formula: C10 H16 O
• Calculated formula: C10 H16 O
• Title of publication: Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds
• Authors of publication: Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.577 ± 0.0005 Å
• b: 11.5948 ± 0.0005 Å
• c: 11.5876 ± 0.0004 Å
• α: 81.718 ± 0.003°
• β: 70.661 ± 0.003°
• γ: 61.489 ± 0.004°
• Cell volume: 1289.5 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No