Information card for entry 7103880

Structure parameters

• Common name: Methyl 5-(3'H-cyclopropa(1,9)(C60-Ih)(5,6)fullerenyl)-5- phenylpentanoate.
• Chemical name: Methyl 5-(3'H-cyclopropa[1,9](C60-Ih)[5,6]fullerenyl)-5-phenylpentanoate.
• Formula: C150 H33 Cl O4
• Calculated formula: C150 H33 Cl O4
• Title of publication: Influence of the solvent on the crystal structure of PCBM and the efficiency of MDMO-PPV:PCBM "plastic" solar cells
• Authors of publication: Rispens, Minze T.; Meetsma, Auke; Rittberger, Roman; Brabec, Christoph J.; Sariciftci, N. Serdar; Hummelen, Jan C.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2116 - 2118
• a: 13.8333 ± 0.0009 Å
• b: 15.288 ± 0.001 Å
• c: 19.249 ± 0.001 Å
• α: 80.259 ± 0.001°
• β: 78.557 ± 0.001°
• γ: 80.406 ± 0.001°
• Cell volume: 3894.9 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No