Information card for entry 1518447

Structure parameters

• Formula: C67 F6
• Calculated formula: C67 F6
• SMILES: Fc1c2c(c(F)c(F)c1F)C(F)(F)C13C42c2c5c6c7c8c2c2c4c4c9c%10c%11c%12c%13c%14c%15c%16c%17c(c1c5c1c%17c5c%17c(c61)c1c7c6c8c7c8c%18c%19c%20c%21c(c(c%165)c%14c%21c5c%13c%10c(c8c9c27)c%195)c%17c1c%20c6%18)c(c3c4%11)c%12%15
• Title of publication: A faux hawk fullerene with PCBM-like properties
• Authors of publication: San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1801
• a: 9.9998 ± 0.0006 Å
• b: 20.6538 ± 0.0012 Å
• c: 31.3512 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6475.1 ± 0.7 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No