Information card for entry 1512229

Structure parameters

• Formula: C42 H50 N4
• Calculated formula: C42 H50 N4
• SMILES: CCCC(=C(/NN=C(c1ccccc1)c1ccccc1)CCC)/C(=C(\NN=C(c1ccccc1)c1ccccc1)CCC)CCC
• Title of publication: Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.
• Authors of publication: Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 4182 - 4185
• a: 13.3049 ± 0.0007 Å
• b: 13.3049 ± 0.0007 Å
• c: 21.044 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3725.2 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No