Information card for entry 7115023

Structure parameters

• Formula: C214 H120 Cl4 O40
• Calculated formula: C214 H120 Cl4 O40
• SMILES: C123C4(c5c6c7c1c1c8c2c2c9c4c4c5c5c%10c6C6%11c7c7c1C1%12C%13(c8c8c2C2%14c9c9c4C4%15C5(c5c%10c%10C6(c6c7c1c1c7c%13c8c8C2(c2c9c4c4c5c5c%10c6c1C16c7c8c2c4C51C6(C(=O)OCC)C(=O)OCC)C%14(C(=O)OCC)C(=O)OCC)C%11(C(=O)OCC)C(=O)OCC)C%15(C(=O)OCC)C(=O)OCC)C%12(C(=O)OCC)C(=O)OCC)C12C43c3c5c6c1c1c7c2c2c8c4c4c3c3c9c5C5%10c6c6c1C1%11C%12(c7c7c2C2%13c8c8c4C4%14C3(c3c9c9C5(c5c6c1c1c6c%12c7c7C2(c2c8c4c4c3c3c9c5c1C15c6c7c2c4C31C5(C(=O)OCC)C(=O)OCC)C%13(C(=O)OCC)C(=O)OCC)C%10(C(=O)OCC)C(=O)OCC)C%14(C(=O)OCC)C(=O)OCC)C%11(C(=O)OCC)C(=O)OCC.Clc1ccccc1.c1(ccccc1)Cl.Clc1ccccc1.Clc1ccccc1
• Title of publication: First synthesis of a highly symmetrical decakis-adduct of fullerene dimer C120
• Authors of publication: Fujiwara, Koichi; Komatsu, Koichi
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1986
• a: 14.4234 ± 0.0007 Å
• b: 14.5285 ± 0.0007 Å
• c: 19.5453 ± 0.0009 Å
• α: 105.288 ± 0.001°
• β: 100.531 ± 0.001°
• γ: 93.227 ± 0.001°
• Cell volume: 3860.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No