Information card for entry 4034742

Structure parameters

• Formula: C26 H22 O4
• Calculated formula: C26 H22 O4
• SMILES: O=C(c1ccccc1)CC1c2c(OC(=C1C(=O)OCc1ccccc1)C)cccc2
• Title of publication: Synthesis of Functionalized Chromene and Chroman Derivatives via Cesium Carbonate Promoted Formal [4 + 2] Annulation of 2'-Hydroxychalcones with Allenoates.
• Authors of publication: Rouh, Hossein; Liu, Yangxue; Katakam, Nandakumar; Pham, Lilian; Zhu, Yi-Long; Li, Guigen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15372 - 15379
• a: 19.403 ± 0.003 Å
• b: 5.6089 ± 0.0008 Å
• c: 37.416 ± 0.006 Å
• α: 90°
• β: 104.542 ± 0.002°
• γ: 90°
• Cell volume: 3941.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No