Information card for entry 7203220

Structure parameters

• Chemical name: Fullerene [70] phenol co-crystallisate
• Formula: C170 H30 O5
• Calculated formula: C170 H25 O5
• Title of publication: Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol
• Authors of publication: Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 163
• a: 21.348 ± 0.003 Å
• b: 19.231 ± 0.003 Å
• c: 22.047 ± 0.003 Å
• α: 90°
• β: 105.139 ± 0.003°
• γ: 90°
• Cell volume: 8737 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1996
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for significantly intense reflections: 2.99
• Goodness-of-fit parameter for all reflections included in the refinement: 2.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No