Information card for entry 7150676

Structure parameters

• Formula: C42 H40 Cl2 O3
• Calculated formula: C42 H40 Cl2 O3
• Title of publication: Triflic imide-catalyzed cascade cycloaddition and Friedel‒Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate
• Authors of publication: Li, Wei; Shi, Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1775 - 1777
• a: 9.7469 ± 0.0012 Å
• b: 11.613 ± 0.0014 Å
• c: 15.7201 ± 0.0018 Å
• α: 90.102 ± 0.002°
• β: 93.697 ± 0.003°
• γ: 100.409 ± 0.002°
• Cell volume: 1746.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No