Information card for entry 7037373

Structure parameters

• Formula: C24 H21 N
• Calculated formula: C24 H21 N
• SMILES: N(/C(=C/C#Cc1ccccc1)c1ccccc1)(C)c1ccc(cc1)C
• Title of publication: Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.
• Authors of publication: Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6241 - 6250
• a: 7.4316 ± 0.0001 Å
• b: 23.6631 ± 0.0007 Å
• c: 10.6845 ± 0.0003 Å
• α: 90°
• β: 100.375 ± 0.002°
• γ: 90°
• Cell volume: 1848.2 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No