Information card for entry 7155883

Structure parameters

• Formula: C33 H26 O
• Calculated formula: C33 H26 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: 13.469 ± 0.003 Å
• b: 12.454 ± 0.002 Å
• c: 14.312 ± 0.003 Å
• α: 90 ± 0.03°
• β: 91.69 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2399.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No