Information card for entry 1504040

Structure parameters

• Chemical name: 4-[(E)-iodoethenyl]biphenyl
• Formula: C14 H11 I
• Calculated formula: C14 H11 I
• Title of publication: New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes.
• Authors of publication: Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3390 - 3393
• a: 26.395 ± 0.002 Å
• b: 12.0508 ± 0.0014 Å
• c: 7.482 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2379.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No