Information card for entry 4071633

Structure parameters

• Formula: C26 H37 N2 O10.5 S2
• Calculated formula: C26 H37 N2 O10.5 S2
• Title of publication: Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes
• Authors of publication: Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4056
• a: 27.712 ± 0.006 Å
• b: 10.5495 ± 0.0018 Å
• c: 20.635 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6033 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No