Information card for entry 4122232

Structure parameters

• Formula: C52 H46 N4 O4 Zn
• Calculated formula: C52 H46 N4 O4 Zn
• SMILES: [Zn]12([N]3[C@H](COC=3C(=C3N1[C@@H](c1ccccc1)CO3)Cc1ccccc1)c1ccccc1)N1C(=C(C3=[N]2[C@H](c2ccccc2)CO3)Cc2ccccc2)OC[C@H]1c1ccccc1.[Zn]12([N]3[C@@H](COC=3C(=C3N1[C@H](c1ccccc1)CO3)Cc1ccccc1)c1ccccc1)N1C(=C(C3=[N]2[C@@H](c2ccccc2)CO3)Cc2ccccc2)OC[C@@H]1c1ccccc1
• Title of publication: Asymmetric catalysis using self-assembled chiral bidentate P,P-ligands.
• Authors of publication: Takacs, James M.; Reddy, D. Sahadeva; Moteki, Shin A.; Wu, Di; Palencia, Hector
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Journal issue: 14
• Pages of publication: 4494 - 4495
• a: 9.927 ± 0.002 Å
• b: 10.958 ± 0.002 Å
• c: 20.985 ± 0.004 Å
• α: 83.32 ± 0.03°
• β: 89.55 ± 0.03°
• γ: 66.18 ± 0.03°
• Cell volume: 2072.2 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No