Information card for entry 7117102

Structure parameters

• Formula: C76 H28 F10 O2
• Calculated formula: C76 H28 F10 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: 28.7283 ± 0.0016 Å
• b: 28.7283 ± 0.0016 Å
• c: 12.1809 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10053.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No