Information card for entry 1562392

Structure parameters

• Formula: C39.5 H24
• Calculated formula: C39.5 H24
• Title of publication: Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids
• Authors of publication: Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 10.1399 ± 0.0008 Å
• b: 11.8036 ± 0.0011 Å
• c: 12.2024 ± 0.0011 Å
• α: 104.246 ± 0.004°
• β: 90.62 ± 0.005°
• γ: 111.016 ± 0.005°
• Cell volume: 1313.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1564
• 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: Yes
• Has Fobs: No