Information card for entry 7037375

Structure parameters

• Formula: C30 H28 N2
• Calculated formula: C30 H28 N2
• SMILES: C(=C\C=C(\N(C)c1ccccc1)c1ccccc1)(N(C)c1ccccc1)\c1ccccc1
• 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: 10.5309 ± 0.0015 Å
• b: 11.255 ± 0.002 Å
• c: 10.6349 ± 0.0017 Å
• α: 90°
• β: 113.94 ± 0.01°
• γ: 90°
• Cell volume: 1152.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No