Information card for entry 7050395

Structure parameters

• Formula: C228 H218 O13
• Calculated formula: C228 H218 O13
• Title of publication: Electronic properties of oligophenylenevinylene and oligophenyleneethynylene arrays constructed on the upper rim of a calix[4]arene core
• Authors of publication: Nicola Armaroli; Gianluca Accorsi; Yannick Rio; Paola Ceroni; Veronica Vicinelli; Richard Welter; Tao Gu; Mohamed Saddik; Michel Holler; Jean-François Nierengarten
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 1627 - 1637
• a: 35.96 ± 0.03 Å
• b: 24.41 ± 0.02 Å
• c: 25.89 ± 0.02 Å
• α: 90°
• β: 126.99 ± 0.05°
• γ: 90°
• Cell volume: 18152 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1941
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No