Information card for entry 4513565

Structure parameters

• Formula: C11 H18 O
• Calculated formula: C11 H19.3333 O
• Title of publication: Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol
• Authors of publication: Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4149
• a: 11.4489 ± 0.0008 Å
• b: 13.1094 ± 0.0009 Å
• c: 19.6876 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2954.9 ± 0.4 ų
• Cell temperature: 275 ± 2 K
• Ambient diffraction temperature: 275 ± 2 K
• Number of distinct elements: 3
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No