Information card for entry 7151043

Structure parameters

• Formula: C5 H11 Cl N4 O
• Calculated formula: C5 H11 Cl N4 O
• SMILES: O[C@@H]1C[C@@H]([NH2+]C1)CN=N#N.[Cl-]
• Title of publication: Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.
• Authors of publication: Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 239 - 248
• a: 5.1589 ± 0.0002 Å
• b: 10.5387 ± 0.0005 Å
• c: 7.4162 ± 0.0004 Å
• α: 90°
• β: 93.901 ± 0.003°
• γ: 90°
• Cell volume: 402.27 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No