Information card for entry 4000244

Structure parameters

• Formula: C80 H50 I16
• Calculated formula: C80 H50 I16
• SMILES: c1cc2ccc3c4c2c(c1)ccc4ccc3.c1cc2ccc3c4c2c(c1)ccc4ccc3.c1cc2ccc3c4c2c(c1)ccc4ccc3.c1cc2ccc3c4c2c(c1)ccc4ccc3.c1cc2ccc3c4c2c(c1)ccc4ccc3.I[I-]I.II.II.II.II.II.II.[I-]
• Authors of publication: Stephen Lee; Banglin Chen; Daniel C. Fredrickson; Francis J. DiSalvo; Emil Lobkovsky; Judith A. Adams
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 13.5263 ± 0.0011 Å
• b: 13.6606 ± 0.0012 Å
• c: 22.886 ± 0.002 Å
• α: 79.649 ± 0.002°
• β: 82.653 ± 0.002°
• γ: 76.305 ± 0.002°
• Cell volume: 4025.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No