Information card for entry 7151042

Structure parameters

• Formula: C31 H33 N7 O6
• Calculated formula: C31 H33 N7 O6
• SMILES: c1([nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([NH+](C1)CC(=O)[O-])CNC(=O)OCC1c2ccccc2c2ccccc12)NC(=O)C(C)C
• 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: 11.581 ± 0.0004 Å
• b: 14.4762 ± 0.0005 Å
• c: 17.7027 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2967.84 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No