Information card for entry 1505911

Structure parameters

• Formula: C151 H80 O10
• Calculated formula: C151 H80 O10
• SMILES: C12C3=C4C5=C1C1(c6c7C5(c5c8C4(c4c9C3(c3c%10C2(c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c3c4c5c61)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.
• Authors of publication: Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1463 - 1466
• a: 21.326 ± 0.005 Å
• b: 21.2 ± 0.005 Å
• c: 23.53 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.92 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9869 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1976
• Residual factor for significantly intense reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.291
• Weighted residual factors for all reflections included in the refinement: 0.3447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No