Information card for entry 4113170

Structure parameters

• Formula: C86 H126 O2
• Calculated formula: C86 H126 O2
• Title of publication: Crankshaft Motion in a Highly Congested Bis(triarylmethyl)peroxide
• Authors of publication: Tinh-Alfredo V. Khuong; Gerardo Zepeda; Carlos N. Sanrame; Hung Dang; Michael D. Bartberger; K. N. Houk; Miguel A. Garcia-Garibay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14778 - 14786
• a: 13.614 ± 0.007 Å
• b: 14.605 ± 0.007 Å
• c: 19.985 ± 0.01 Å
• α: 89.78 ± 0.01°
• β: 88.377 ± 0.009°
• γ: 87.122 ± 0.01°
• Cell volume: 3967 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No