Information card for entry 4103044

Structure parameters

• Formula: C80 H26 Cl3 N3 O3
• Calculated formula: C80 H26 Cl3 N3 O3
• SMILES: ClC(Cl)Cl.O=C1NC(=O)NC(=O)C1(N1C23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%11c9c6c6c5c5c9c4c4c2c2c%11c(c8c8c%18c%11c%11c%19c%20c(c%21c%14c%12c(c%18c%19%21)c%108)c%15c8c%16c(c9c9c8c%20c(c2%11)c49)c5c%17c%136)C137)Cc1cc(C(C)(C)C)cc(c1)C(C)(C)C
• Title of publication: Self-Assembly of Supramolecular Fullerene Ribbons via Hydrogen-Bonding Interactions and Their Impact on Fullerene Electronic Interactions and Charge Carrier Mobility
• Authors of publication: Cheng-Che Chu; Guillaume Raffy; Debdas Ray; André Del Guerzo; Brice Kauffmann; Guillaume Wantz; Lionel Hirsch; Dario M. Bassani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12717 - 12723
• a: 9.952 ± 0.002 Å
• b: 15.876 ± 0.003 Å
• c: 15.877 ± 0.003 Å
• α: 77.41 ± 0.03°
• β: 83.69 ± 0.03°
• γ: 88.42 ± 0.03°
• Cell volume: 2433.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.3345
• Weighted residual factors for all reflections included in the refinement: 0.349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.657
• Diffraction radiation wavelength: 0.855 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No