Information card for entry 2102163

Structure parameters

• Common name: tris-hydroquinone fullerene
• Formula: C78 H18 O6
• Calculated formula: C198 H24 O6
• Title of publication: Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~
• Authors of publication: Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 1003 - 1010
• a: 16.212 ± 0.002 Å
• b: 16.212 ± 0.002 Å
• c: 13.873 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3157.7 ± 0.7 ų
• Cell temperature: 373 K
• Ambient diffraction temperature: 373 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Diffraction radiation wavelength: 0.710769 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No