Information card for entry 7154389

Structure parameters

• Formula: C31 H22 O4
• Calculated formula: C31 H22 O4
• SMILES: c1(ccccc1)C1=C(C(=C\C(=O)c2ccccc2)/C(c2ccccc2)(O1)O)C(=O)c1ccccc1
• Title of publication: Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.
• Authors of publication: Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4976 - 4980
• a: 10.992 ± 0.004 Å
• b: 11.214 ± 0.004 Å
• c: 11.305 ± 0.004 Å
• α: 102.215 ± 0.005°
• β: 104.067 ± 0.005°
• γ: 108.292 ± 0.005°
• Cell volume: 1219.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No