Information card for entry 1503975

Structure parameters

• Formula: C73.8 H12.9 N2 O6.3 S2.4
• Calculated formula: C73.8 H12 N2 O6.3 S2.4
• Title of publication: Efficient cage-opening cascade process for the preparation of water-encapsulated [60]fullerene derivatives.
• Authors of publication: Zhang, Qianyan; Jia, Zhenshan; Liu, Shuming; Zhang, Gang; Xiao, Zuo; Yang, Dazhi; Gan, Liangbing; Wang, Zheming; Li, Yuliang
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2772 - 2774
• a: 14.0617 ± 0.0002 Å
• b: 17.0906 ± 0.0002 Å
• c: 19.3399 ± 0.0003 Å
• α: 90.8266 ± 0.0005°
• β: 104.694 ± 0.0005°
• γ: 94.1097 ± 0.0008°
• Cell volume: 4481.69 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1349
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No