Information card for entry 4038113

Structure parameters

• Formula: C27 H25 N O4
• Calculated formula: C27 H25 N O4
• SMILES: c12ccccc1C(=C(\C=C/c1cc(c(c(c1)OC)OC)OC)c1ccccc1)\C(=O)N2C
• Title of publication: Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.
• Authors of publication: Parveen, Naziya; Sekar, Govindasamy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 7
• Pages of publication: 4682 - 4694
• a: 8.1334 ± 0.0003 Å
• b: 31.8582 ± 0.0016 Å
• c: 9.231 ± 0.0005 Å
• α: 90°
• β: 110.33 ± 0.002°
• γ: 90°
• Cell volume: 2242.9 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No