Information card for entry 1512230

Structure parameters

• Formula: C54 H72 Cl3 Li N4 O3 Zn2
• Calculated formula: C54 H72 Cl3 Li N4 O3 Zn2
• SMILES: [Zn]12(Cl)[Cl][Zn]3([Cl][Li]([O]4CCCC4)([O]4CCCC4)[O]4CCCC4)[N](N=C(c4ccccc4)c4ccccc4)=C([C@]2([C@@]3(C(=[N]1N=C(c1ccccc1)c1ccccc1)CCC)CCC)CCC)CCC.[Zn]12(Cl)[Cl][Zn]3([Cl][Li]([O]4CCCC4)([O]4CCCC4)[O]4CCCC4)[N](N=C(c4ccccc4)c4ccccc4)=C([C@@]2([C@]3(C(=[N]1N=C(c1ccccc1)c1ccccc1)CCC)CCC)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: 12.6665 ± 0.0005 Å
• b: 13.2379 ± 0.0006 Å
• c: 16.9687 ± 0.001 Å
• α: 98.104 ± 0.004°
• β: 105.226 ± 0.004°
• γ: 93.471 ± 0.004°
• Cell volume: 2703.8 ± 0.2 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No