Information card for entry 4026949

Structure parameters

• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• Title of publication: Influence of Substituents on the Through-Space Shielding of Aromatic Rings
• Authors of publication: Colin W. Anson; Dasan M. Thamattoor
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 1693 - 1700
• a: 22.137 ± 0.012 Å
• b: 7.901 ± 0.004 Å
• c: 15.787 ± 0.009 Å
• α: 90°
• β: 104.305 ± 0.007°
• γ: 90°
• Cell volume: 2676 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections: 0.1671
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No