Information card for entry 1544166

Structure parameters

• Formula: C32 H38 O3
• Calculated formula: C32 H38 O3
• SMILES: Oc1c(cc(cc1C(C)(C)C)C(=C(c1ccc(cc1)C)c1ccc(cc1)C)C(=O)OC)C(C)(C)C
• Title of publication: Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.
• Authors of publication: Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4888 - 4891
• a: 10.361 ± 0.002 Å
• b: 25.338 ± 0.003 Å
• c: 11.4215 ± 0.0017 Å
• α: 90°
• β: 114.89 ± 0.02°
• γ: 90°
• Cell volume: 2719.9 ± 0.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1617
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No