Information card for entry 4110411

Structure parameters

• Formula: C42 H46 Cl4 N6 O Zn2
• Calculated formula: C41 H43 Cl4 N6 O Zn2
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1cccc(c1)c1cccc(c1)C[N]12[Zn](Cl)(Cl)([n]3ccccc3C1)[n]1c(C2)cccc1.O(CC)C
• Title of publication: Effective Disruption of Phosphoprotein-Protein Surface Interaction Using Zn(II) Dipicolylamine-Based Artificial Receptors via Two-Point Interaction
• Authors of publication: Akio Ojida; Masa-aki Inoue; Yasuko Mito-oka; Hiroshi Tsutsumi; Kazuki Sada; Itaru Hamachi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 2052 - 2058
• a: 14.231 ± 0.001 Å
• b: 12.26 ± 0.001 Å
• c: 24.167 ± 0.002 Å
• α: 90°
• β: 104.181 ± 0.004°
• γ: 90°
• Cell volume: 4088 ± 0.6 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No