Information card for entry 4109806

Structure parameters

• Common name: Y3N@C80adduct.0.5benzene.0.5chloroform
• Formula: C100.5 H17.5 Cl1.5 N O4 Y3
• Calculated formula: C100.5 H17.5 Cl1.5 N O4 Y3
• Title of publication: "Open Rather than Closed" Malonate Methano-Fullerene Derivatives. The Formation of Methanofulleroid Adducts of Y3N@C80
• Authors of publication: Olena Lukoyanova; Claudia M. Cardona; José Rivera; Leyda Z. Lugo-Morales; Christopher J. Chancellor; Marilyn M. Olmstead; Antonio Rodríguez-Fortea; Josep M. Poblet; Alan L. Balch; Luis Echegoyen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10423 - 10430
• a: 11.2082 ± 0.0011 Å
• b: 17.1248 ± 0.0016 Å
• c: 27.882 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5351.6 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1508
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.262
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No