Information card for entry 7117856

Structure parameters

• Formula: C124 H168
• Calculated formula: C124 H168
• Title of publication: Thermal dimerization of [n]cumulenes (n = 5, 7, 9)
• Authors of publication: Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14877
• a: 19.3824 ± 0.0004 Å
• b: 19.3824 ± 0.0004 Å
• c: 14.8604 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5582.7 ± 0.3 ų
• Cell temperature: 172.9 ± 0.3 K
• Ambient diffraction temperature: 172.9 ± 0.3 K
• Number of distinct elements: 2
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No