Information card for entry 7128512

Structure parameters

• Formula: C77 H14 O3
• Calculated formula: C77 H14 O3
• SMILES: O1[C@@]2(C(=O)O[C@]1(C13c4c5c6c7c8c4c4c1c1c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c(c%11c%23c9c9c1c1c4c4c8c8c7c7c(c%11c%19c%19c(c8%11)c4c1c(c%229)c%21%19)c%18c%15c7c6c%14c5c%12C23%10)c%13%16)c%17%20)c1ccc(cc1)C)c1ccc(cc1)C.O1[C@]2(C(=O)O[C@@]1(C13c4c5c6c7c8c4c4c1c1c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c(c%11c%23c9c9c1c1c4c4c8c8c7c7c(c%11c%19c%19c(c8%11)c4c1c(c%229)c%21%19)c%18c%15c7c6c%14c5c%12C23%10)c%13%16)c%17%20)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: A copper-promoted synthesis of epoxy-bridged [60]fullerene-fused lactones and further derivatization.
• Authors of publication: Lu, Wen-Qiang; Zhou, Dian-Bing; Yin, Zheng-Chun; Liu, Qing-Song; Wang, Guan-Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 57
• Pages of publication: 7043 - 7046
• a: 10.1504 ± 0.0004 Å
• b: 10.2597 ± 0.0004 Å
• c: 26.1604 ± 0.001 Å
• α: 84.653 ± 0.003°
• β: 87.864 ± 0.003°
• γ: 75.323 ± 0.003°
• Cell volume: 2623.72 ± 0.18 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No