Information card for entry 4024972

Structure parameters

• Formula: C20 H16 F N O2
• Calculated formula: C20 H16 F N O2
• SMILES: Fc1c(C2=CC[C@H]3C(=O)N(C(=O)[C@H]3C2)c2ccccc2)cccc1.Fc1c(C2=CC[C@@H]3C(=O)N(C(=O)[C@@H]3C2)c2ccccc2)cccc1
• Title of publication: Preparation of 2-Silicon-Substituted 1,3-Dienes and Their Diels-Alder/Cross-Coupling Reactions
• Authors of publication: Ramakrishna R. Pidaparthi; Christopher S. Junker; Mark E. Welker; Cynthia S. Day; Marcus W. Wright
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8290 - 8297
• a: 14.6494 ± 0.0014 Å
• b: 6.6182 ± 0.0006 Å
• c: 17.2122 ± 0.0016 Å
• α: 90°
• β: 99.662 ± 0.001°
• γ: 90°
• Cell volume: 1645.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No