Information card for entry 1562400

Structure parameters

• Formula: C84 H76 B4 N10
• Calculated formula: C84 H76 B4 N10
• SMILES: [NH2](N)[B](C#Cc1c2C3c4c(cccc4C(c2ccc1)C1c2c(C3c3c(cccc13)C#C[B]([NH2]N)(c1ccccc1)c1ccccc1)c(ccc2)C#C[B]([NH2]N)(c1ccccc1)c1ccccc1)C#C[B]([NH2]N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.NN
• 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: 26.4901 ± 0.0004 Å
• b: 26.4901 ± 0.0004 Å
• c: 44.94 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31535.5 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No