Information card for entry 7238931

Structure parameters

• Formula: C18 H20 O8
• Calculated formula: C18 H20 O8
• Title of publication: One-pot thermally chemocontrolled double Diels‒Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60
• Authors of publication: Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 14
• Pages of publication: 4750
• a: 5.2551 ± 0.0004 Å
• b: 12.1219 ± 0.0007 Å
• c: 14.2706 ± 0.0012 Å
• α: 109.989 ± 0.006°
• β: 95.075 ± 0.007°
• γ: 94.816 ± 0.005°
• Cell volume: 844.59 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No