Information card for entry 1553494

Structure parameters

• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: O1C(=O)C=C(c2ccccc2)C1c1ccc(cc1)C
• Title of publication: Capture of CO2 in air for 4,5-disubstituted furan-2(5H)-ones
• Authors of publication: Cui, Fei-Hu; Su, Shi-Xia; Xu, Yan-li; Liang, Ying; Wang, Heng-shan; Pan, Ying-Ming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1304
• a: 13.6594 ± 0.0014 Å
• b: 5.9624 ± 0.0005 Å
• c: 17.4715 ± 0.0018 Å
• α: 90°
• β: 106.688 ± 0.012°
• γ: 90°
• Cell volume: 1363 ± 0.2 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: 0.1445
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No