Information card for entry 4513378

Structure parameters

• Formula: C11 H18 O
• Calculated formula: C11 H18 O
• SMILES: C12(CC3CC(C1)CC(C3)C2)CO
• 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: 13.0675 ± 0.0007 Å
• b: 11.2831 ± 0.0008 Å
• c: 19.3721 ± 0.0014 Å
• α: 90°
• β: 90.518 ± 0.005°
• γ: 90°
• Cell volume: 2856.1 ± 0.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No