Information card for entry 4027054

Structure parameters

• Formula: C299 H136 O40 S2
• Calculated formula: C299 H136 O40 S2
• Title of publication: Selective Synthesis of Fullerenol Derivatives with Terminal Alkyne and Crown Ether Addends
• Authors of publication: Huan Huang; Gang Zhang; Sisi Liang; Nana Xin; Liangbing Gan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2456 - 2462
• a: 14.809 ± 0.002 Å
• b: 17.264 ± 0.003 Å
• c: 19.65 ± 0.004 Å
• α: 88.48 ± 0.005°
• β: 73.52 ± 0.004°
• γ: 82.88 ± 0.005°
• Cell volume: 4780 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1413
• Residual factor for significantly intense reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.3344
• Weighted residual factors for all reflections included in the refinement: 0.3468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No