Information card for entry 4107569

Structure parameters

• Formula: C26 H20 Cl N O4
• Calculated formula: C26 H20 Cl N O4
• Title of publication: Synthesis of Programmable Tetra-ortho-Substituted Biaryl Compounds Using Diels-Alder Cycloadditions/Cycloreversions of Disubstituted Alkynyl Stannanes
• Authors of publication: Johanna R. Perkins; Rich G. Carter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3290 - 3291
• a: 8.0105 ± 0.0007 Å
• b: 10.8432 ± 0.0009 Å
• c: 13.9873 ± 0.0012 Å
• α: 108.915 ± 0.001°
• β: 97.109 ± 0.001°
• γ: 101.647 ± 0.001°
• Cell volume: 1101.94 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No