Information card for entry 4027423

Structure parameters

• Formula: C91 H19 N O
• Calculated formula: C91 H19 N O
• Title of publication: Regioselective Oxazolination of C702- and Formation of cis-1 C70 Adduct with Respect to the Apical Pentagon
• Authors of publication: Ling Ni; Wei-Wei Yang; Zong-Jun Li; Di Wu; Xiang Gao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7299 - 7306
• a: 11.203 Å
• b: 15.093 Å
• c: 27.684 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4681 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No