Information card for entry 7154296

Structure parameters

• Formula: C25 H21 F O2
• Calculated formula: C25 H21 F O2
• SMILES: O1c2c(C(C3=C1CC(CC3=O)(C)C)c1ccc(F)cc1)c1c(cccc1)cc2
• Title of publication: Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies.
• Authors of publication: da Silva, Daniel Leite; Silva Terra, Bruna; Ribeiro Lage, Mateus; Lúcia Tasca Góis Ruiz, Ana; Capeletti da Silva, Cameron; Ernesto de Carvalho, João; Walkimar de Mesquita Carneiro, José; Terra Martins, Felipe; Antonio Fernades, Sergio; de Fátima, Ângelo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3280 - 3287
• a: 6.0244 ± 0.0004 Å
• b: 11.844 ± 0.0009 Å
• c: 13.27 ± 0.0013 Å
• α: 93.58 ± 0.02°
• β: 94.51 ± 0.02°
• γ: 94.85 ± 0.05°
• Cell volume: 938.26 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No