Information card for entry 1547733

Structure parameters

• Formula: C18 H14 O2
• Calculated formula: C18 H14 O2
• SMILES: Oc1ccccc1C(=O)c1cc2cccc(c2cc1)C
• Title of publication: Synthesis of Benzoaryl-5-yl(2-hydroxyphenyl)methanones via Photoinduced Rearrangement of (E)-3-Arylvinyl-4H-chromen-4-ones.
• Authors of publication: Fan, Jinming; Wang, Tao; Li, Chenchen; Wang, Rui; Lei, Xiaoyu; Liang, Yong; Zhang, Zunting
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5984 - 5987
• a: 7.7485 ± 0.0019 Å
• b: 8.638 ± 0.002 Å
• c: 11.316 ± 0.003 Å
• α: 78.953 ± 0.004°
• β: 72.382 ± 0.003°
• γ: 65.252 ± 0.003°
• Cell volume: 653.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No