Information card for entry 4333824

Structure parameters

• Formula: C25 H29 N3
• Calculated formula: C25 H29 N3
• SMILES: N(=C(Nc1c(ccc(c1)C)C)Nc1c(ccc(c1)C)C)c1c(ccc(c1)C)C
• Title of publication: Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N"-Triarylguanidines
• Authors of publication: Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1883 - 1894
• a: 8.391 ± 0.005 Å
• b: 11.547 ± 0.004 Å
• c: 12.017 ± 0.005 Å
• α: 80.974 ± 0.005°
• β: 77.125 ± 0.004°
• γ: 80.902 ± 0.005°
• Cell volume: 1111.8 ± 0.9 ų
• Cell temperature: 298 ± 3 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No