Information card for entry 7150455

Structure parameters

• Common name: Compound X
• Formula: C10 H16 O
• Calculated formula: C10 H16 O
• Title of publication: Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols
• Authors of publication: Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 700 - 704
• a: 5.9714 ± 0.0001 Å
• b: 20.5466 ± 0.0005 Å
• c: 22.5632 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2768.32 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No