Information card for entry 7117104

Structure parameters

• Common name: isophlorin-fullerene
• Formula: C82 H9 F5 O2
• Calculated formula: C82 H9 F5 O2
• Title of publication: Non-covalent composites of antiaromatic isophlorin-fullerene
• Authors of publication: Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8276
• a: 26.962 ± 0.007 Å
• b: 13.616 ± 0.003 Å
• c: 24.071 ± 0.005 Å
• α: 90°
• β: 97.746 ± 0.008°
• γ: 90°
• Cell volume: 8756 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1431
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No