Information card for entry 7153878

Structure parameters

• Formula: C22 H22 O2
• Calculated formula: C22 H22 O2
• SMILES: [C@H]12CC[C@H]([C@H](C\1=C\c1ccccc1)c1ccc(cc1)C(=O)OC)C2.[C@@H]12CC[C@@H]([C@@H](C\1=C\c1ccccc1)c1ccc(cc1)C(=O)OC)C2
• 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: 19.1645 ± 0.0014 Å
• b: 5.9934 ± 0.0005 Å
• c: 29.725 ± 0.003 Å
• α: 90°
• β: 98.23 ± 0.008°
• γ: 90°
• Cell volume: 3379.1 ± 0.5 ų
• Cell temperature: 100.01 ± 0.13 K
• Ambient diffraction temperature: 100.01 ± 0.13 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: 0.1203
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No