Information card for entry 7244794

Structure parameters

• Formula: C11 H18 O
• Calculated formula: C11 H18 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: 18.9657 ± 0.0005 Å
• b: 9.2178 ± 0.0002 Å
• c: 21.3293 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3728.83 ± 0.15 ų
• Cell temperature: 345 ± 2 K
• Ambient diffraction temperature: 345 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No