Information card for entry 1504680

Structure parameters

• Formula: C69.5 H20.5 Cl3 O7.25 S3
• Calculated formula: C69.5 H20 Cl3 O7.25 S3
• Title of publication: Towards the rational synthesis of norfullerenes. controlled deletion of one carbon atom from C60 and preparation of 2,5,9-trioxo-1-nor(C60-Ih)[5,6]fullerene C59(O)3 derivatives.
• Authors of publication: Yao, Jiayao; Xiao, Zuo; Gan, Liangbing; Yang, Dazhi; Wang, Zheming
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 2003 - 2006
• a: 13.6485 ± 0.0002 Å
• b: 19.0886 ± 0.0003 Å
• c: 20.2523 ± 0.0003 Å
• α: 93.8951 ± 0.0005°
• β: 103.887 ± 0.0006°
• γ: 109.06 ± 0.0005°
• Cell volume: 4779.38 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.115
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No