Information card for entry 7159259

Structure parameters

• Formula: C21 H14 O2
• Calculated formula: C21 H14 O2
• Title of publication: Cu(II)-catalyzed domino construction of spironaphthalenones by dearomatization of β-naphthols and using <i>N</i>,<i>N</i>-dimethylaminoethanol as a C1 synthon.
• Authors of publication: Geng, Meiqi; Kuang, Jinqiang; Miao, Maozhong; Ma, Yongmin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3101 - 3104
• a: 13.785 ± 0.005 Å
• b: 8.252 ± 0.003 Å
• c: 12.807 ± 0.005 Å
• α: 90°
• β: 96.271 ± 0.007°
• γ: 90°
• Cell volume: 1448.1 ± 0.9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1519
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No