Information card for entry 7155881

Structure parameters

• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• Title of publication: Photochemical Generation and Trapping of 3-Oxacyclohexyne
• Authors of publication: Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 10.482 Å
• b: 5.173 Å
• c: 12.755 Å
• α: 90°
• β: 98.46°
• γ: 90°
• Cell volume: 684.094 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No