Information card for entry 1513929

Structure parameters

• Formula: C75 H27 N O4
• Calculated formula: C75 H27 N O4
• SMILES: O(C(=O)CC(N1CC23c4c5c6c7C2(c2c8c7c7c9c%10c8c8c%11c%10c%10c%12c9c9c7c6c6c5c5c7c4c4c3c3c2c8c2c8c%11c%11c%10c%10c%12c%12c9c6c6c5c5c7c7c4c(c32)c2c8c%11c3c%10c(c%126)c5c3c72)C1)CC(=O)OC(C)(C)C)C(C)(C)C
• Title of publication: C60 Pyrrolidine Bis-carboxylic Acid Derivative as a Versatile Precursor for Biocompatible Fullerenes.
• Authors of publication: Aroua, Safwan; Schweizer, W. Bernd; Yamakoshi, Yoko
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1688 - 1691
• a: 10.1322 ± 0.0002 Å
• b: 14.72 ± 0.0004 Å
• c: 15.8556 ± 0.0004 Å
• α: 105.938 ± 0.002°
• β: 93.37 ± 0.002°
• γ: 108.963 ± 0.002°
• Cell volume: 2121.81 ± 0.1 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: 0.0694
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.405
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No