Information card for entry 1506181

Structure parameters

• Formula: C93.95 H22.6 N2 O4 S2.7
• Calculated formula: C93.95 H22.6 N2 O4 S2.7
• Title of publication: Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.
• Authors of publication: Chuang, Shih-Ching; Clemente, Fernando R.; Khan, Saeed I.; Houk, K. N.; Rubin, Yves
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4525 - 4528
• a: 53.619 ± 0.008 Å
• b: 12.3613 ± 0.0018 Å
• c: 18.615 ± 0.003 Å
• α: 90°
• β: 108.317 ± 0.002°
• γ: 90°
• Cell volume: 11713 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.3062
• Weighted residual factors for all reflections included in the refinement: 0.335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No