Information card for entry 4107602

Structure parameters

• Formula: C10 H16 O3
• Calculated formula: C10 H16 O3
• Title of publication: A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation
• Authors of publication: Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3760 - 3761
• a: 6.945 ± 0.002 Å
• b: 7.426 ± 0.002 Å
• c: 10.987 ± 0.003 Å
• α: 85.366 ± 0.003°
• β: 86.896 ± 0.004°
• γ: 63.74 ± 0.003°
• Cell volume: 506.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No