Information card for entry 4032816

Structure parameters

• Formula: C29 H36 O5
• Calculated formula: C29 H36 O5
• SMILES: CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)C(=C)CC(C2c1ccccc1)(C(=O)OC)C(=O)OC
• Title of publication: Silver-Catalyzed Cascade 1,6-Addition/Cyclization of para-Quinone Methides with Propargyl Malonates: An Approach to Spiro[4.5]deca-6,9-dien-8-ones.
• Authors of publication: Yuan, Zhenbo; Liu, Lina; Pan, Rui; Yao, Hequan; Lin, Aijun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 16
• Pages of publication: 8743 - 8751
• a: 11.377 ± 0.005 Å
• b: 30.75 ± 0.014 Å
• c: 15.411 ± 0.007 Å
• α: 90°
• β: 91.92 ± 0.006°
• γ: 90°
• Cell volume: 5388 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No