Information card for entry 7124994

Structure parameters

• Common name: 70DPM6
• Formula: C95 H34 O2
• Calculated formula: C95 H34 O2
• Title of publication: Photochemical site-selective synthesis of [70]methanofullerenes.
• Authors of publication: Vidal, Sara; Izquierdo, Marta; Law, Wai Kit; Jiang, Kui; Filippone, Salvatore; Perles, Josefina; Yan, He; Martín, Nazario
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 86
• Pages of publication: 12733 - 12736
• a: 10.8278 ± 0.0004 Å
• b: 30.7175 ± 0.0014 Å
• c: 16.9665 ± 0.0007 Å
• α: 90°
• β: 102.171 ± 0.002°
• γ: 90°
• Cell volume: 5516.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3909
• Residual factor for significantly intense reflections: 0.2609
• Weighted residual factors for significantly intense reflections: 0.6744
• Weighted residual factors for all reflections included in the refinement: 0.7616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No