Information card for entry 1512228

Structure parameters

• Formula: C46 H38 N4
• Calculated formula: C46 H38 N4
• SMILES: C(C1=C(C(c2ccccc2)=NN=C(c2ccccc2)c2ccccc2)CCCC1)(c1ccccc1)=NN=C(c1ccccc1)c1ccccc1
• 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: 9.0547 ± 0.0018 Å
• b: 14.315 ± 0.003 Å
• c: 14.612 ± 0.003 Å
• α: 104.88 ± 0.03°
• β: 95.42 ± 0.03°
• γ: 90.83 ± 0.03°
• Cell volume: 1820.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1574
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No