Information card for entry 4038112

Structure parameters

• Formula: C23 H15 Cl O2
• Calculated formula: C23 H15 Cl O2
• SMILES: c1cc(ccc1/C=C/C(=C1/c2ccccc2OC1=O)c1ccccc1)Cl
• 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: 9.7179 ± 0.0009 Å
• b: 12.4696 ± 0.0012 Å
• c: 7.5883 ± 0.0008 Å
• α: 90°
• β: 106.874 ± 0.005°
• γ: 90°
• Cell volume: 879.95 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No