Information card for entry 1505304

Structure parameters

• Formula: C48 H42 F12 N4 O4 S2 Zn
• Calculated formula: C48 H42 F12 N4 O4 S2 Zn
• SMILES: [Zn]12([N]([C@@H]([C@H](N1S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C)C)[N]([C@@H]([C@H](N2S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C)C
• Title of publication: Nonenzymatic enantioselective monoacetylation of prochiral 2-protectedamino-2-alkyl-1,3-propanediols utilizing a chiral sulfonamide-Zn complex catalyst.
• Authors of publication: Honjo, Takashi; Nakao, Michiyasu; Sano, Shigeki; Shiro, Motoo; Yamaguchi, Kentaro; Sei, Yoshihisa; Nagao, Yoshimitsu
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 509 - 512
• a: 13.3076 ± 0.0006 Å
• b: 13.3076 ± 0.0006 Å
• c: 27.1044 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4800 ± 0.4 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No