Information card for entry 4076318

Structure parameters

• Formula: C26 H18
• Calculated formula: C26 H18
• SMILES: c1cc2ccccc2cc1[C@H]([C@@H](c1ccc2ccccc2c1)C#C)C#C.c1cc2ccccc2cc1[C@@H]([C@H](c1ccc2ccccc2c1)C#C)C#C
• Title of publication: Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt‒Alkyne Series
• Authors of publication: Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1653
• a: 11.8926 ± 0.0004 Å
• b: 19.5888 ± 0.0006 Å
• c: 7.6155 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1774.12 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No