Information card for entry 4111254

Structure parameters

• Formula: C79 H110 F24 Mo2 N2 O14
• Calculated formula: C79 H110 F24 Mo2 N2 O14
• Title of publication: Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes
• Authors of publication: Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16664 - 16675
• a: 10.1034 ± 0.0007 Å
• b: 29.987 ± 0.002 Å
• c: 14.974 ± 0.001 Å
• α: 90°
• β: 104.099 ± 0.002°
• γ: 90°
• Cell volume: 4400 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No