Information card for entry 4028889

Structure parameters

• Formula: C39 H47.25 Cl5.75 N4 O12 P Si
• Calculated formula: C39 H47.25 Cl5.75 N4 O12 P Si
• Title of publication: Constrained Nucleic Acids (CNA). Part 2. Synthesis of Conformationally Restricted Dinucleotide Units Featuring Noncanonical α/β/γ or δ/ε/ζ Torsion Angle Combinations
• Authors of publication: Le Clézio, Ingrid; Gornitzka, Heinz; Escudier, Jean-Marc; Vigroux, Alain
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 1620 - 1629
• a: 10.6695 ± 0.0008 Å
• b: 18.7483 ± 0.0014 Å
• c: 23.9407 ± 0.0018 Å
• α: 90°
• β: 98.397 ± 0.002°
• γ: 90°
• Cell volume: 4737.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No