Information card for entry 4022639

Structure parameters

• Formula: C391 H66 Cl18 O10
• Calculated formula: C391 H66 Cl18 O10
• Title of publication: Approaches to Open Fullerenes: Synthesis and Thermal Stability of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C~60~
• Authors of publication: Michael Sander; Thibaut Jarrosson; Shih-Ching Chuang; Saeed I. Khan; Yves Rubin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2724 - 2731
• a: 20.31 ± 0.004 Å
• b: 20.105 ± 0.003 Å
• c: 27.042 ± 0.005 Å
• α: 90°
• β: 99.637 ± 0.003°
• γ: 90°
• Cell volume: 10887 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No