Information card for entry 7160116

Structure parameters

• Formula: C88 H40 Cl3 F15 N6
• Calculated formula: C88 H40 Cl3 F15 N6
• Title of publication: Synthesis of anthracene-bridged expanded rosarin.
• Authors of publication: Yadav, Bharti; Ravikanth, Mangalampalli
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 7607 - 7611
• a: 19.563 ± 0.003 Å
• b: 17.74 ± 0.003 Å
• c: 21.9 ± 0.004 Å
• α: 90°
• β: 97.679 ± 0.003°
• γ: 90°
• Cell volume: 7532 ± 2 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2322
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.3151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No