Information card for entry 4347772

Structure parameters

• Formula: C40 H32 N P
• Calculated formula: C40 H32 N P
• SMILES: P(C(=C\C=C(/N(c1ccccc1)c1ccccc1)c1ccccc1)/c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.
• Authors of publication: Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4676 - 4682
• a: 9.7193 ± 0.0003 Å
• b: 12.8184 ± 0.0003 Å
• c: 13.9702 ± 0.0004 Å
• α: 112.076 ± 0.002°
• β: 97.104 ± 0.001°
• γ: 106.481 ± 0.002°
• Cell volume: 1493.78 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No