Information card for entry 7129681

Structure parameters

• Formula: C16 H14 O
• Calculated formula: C16 H14 O
• Title of publication: Palladium-Catalyzed Rearrangement Reaction to Access 1-Phenanthrol Derivatives
• Authors of publication: Liu, Ce; Shi, Wei-Yu; Ding, Ya-Nan; Zheng, Nian; Liang, Yong-Min
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.9314 ± 0.001 Å
• b: 5.2194 ± 0.0003 Å
• c: 13.7603 ± 0.0008 Å
• α: 90°
• β: 105.149 ± 0.006°
• γ: 90°
• Cell volume: 1173.76 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No