Information card for entry 4515636

Structure parameters

• Formula: C29 H30 O5
• Calculated formula: C29 H30 O5
• SMILES: O(c1cc2c(c(OCc3ccccc3)c1C(=O)OC)C(CCC2)(CC=O)C)Cc1ccccc1
• Title of publication: Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center
• Authors of publication: Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 4783
• a: 10.573 ± 0.003 Å
• b: 16.555 ± 0.004 Å
• c: 14.695 ± 0.004 Å
• α: 90°
• β: 104.784 ± 0.003°
• γ: 90°
• Cell volume: 2487 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No