Information card for entry 7153876

Structure parameters

• Formula: C22 H22 O2
• Calculated formula: C22 H22 O2
• SMILES: C1Oc2ccc(cc2O1)/C=C/1[C@H]2CC[C@H](C2)[C@@H]1c1ccc(cc1)C.C1Oc2ccc(cc2O1)/C=C/1[C@@H]2CC[C@@H](C2)[C@H]1c1ccc(cc1)C
• Title of publication: Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.
• Authors of publication: Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 3590 - 3593
• a: 6.2213 ± 0.0004 Å
• b: 19.9582 ± 0.0012 Å
• c: 13.3944 ± 0.0009 Å
• α: 90°
• β: 93.326 ± 0.007°
• γ: 90°
• Cell volume: 1660.33 ± 0.18 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0563
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No