Information card for entry 4113949

Structure parameters

• Formula: C60 H44 N O2
• Calculated formula: C60 H44 N O2
• Title of publication: Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms
• Authors of publication: Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8827 - 8837
• a: 8.4502 ± 0.0011 Å
• b: 9.4905 ± 0.0012 Å
• c: 14.6741 ± 0.0019 Å
• α: 79.925 ± 0.002°
• β: 74.716 ± 0.002°
• γ: 76.347 ± 0.002°
• Cell volume: 1095.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No