Information card for entry 4086039

Structure parameters

• Formula: C38 H26 F N
• Calculated formula: C38 H26 F N
• SMILES: Fc1ccc2nc(c3c(C(=C(CC=C3c3ccccc3)c3ccccc3)c3ccccc3)c2c1)c1ccccc1
• Title of publication: s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst
• Authors of publication: Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3577
• a: 9.8112 ± 0.0004 Å
• b: 21.3085 ± 0.0008 Å
• c: 13.031 ± 0.0005 Å
• α: 90°
• β: 93.638 ± 0.002°
• γ: 90°
• Cell volume: 2718.8 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No