Information card for entry 4110319

Structure parameters

• Formula: C25 H47 F9 N6 O11 S3 Zn2
• Calculated formula: C25 H47 F8.998 N6 O11 S3 Zn2
• Title of publication: The Dinuclear Zn(II) Complex Catalyzed Cyclization of a Series of 2-Hydroxypropyl Aryl Phosphate RNA Models: Progressive Change in Mechanism from Rate-Limiting P-O Bond Cleavage to Substrate Binding
• Authors of publication: Shannon E. Bunn; C. Tony Liu; Zhong-Lin Lu; Alexei A. Neverov; R. Stan Brown
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 16238 - 16248
• a: 10.9062 ± 0.001 Å
• b: 22.998 ± 0.002 Å
• c: 16.7888 ± 0.0014 Å
• α: 90°
• β: 102.656 ± 0.002°
• γ: 90°
• Cell volume: 4108.7 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No