Information card for entry 4519261

Structure parameters

• Formula: C56 H44 N2
• Calculated formula: C56 H44 N2
• Title of publication: Design of UV-Absorbing Donor Molecules for Nearly Imperceptible Organic Solar Cells
• Authors of publication: Ball, Melissa L.; Burlingame, Quinn; Smith, Hannah L.; Liu, Tianran; Parkin, Sean R.; Kahn, Antoine; Loo, Yueh-Lin
• Journal of publication: ACS Energy Letters
• Year of publication: 2021
• Pages of publication: 180 - 188
• a: 8.9703 ± 0.0002 Å
• b: 10.4841 ± 0.0003 Å
• c: 11.6663 ± 0.0002 Å
• α: 107.199 ± 0.001°
• β: 95.614 ± 0.001°
• γ: 103.637 ± 0.001°
• Cell volume: 1001.83 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0406
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No