Information card for entry 7102554

Structure parameters

• Chemical name: N-[(2R)-t-Boc-Aminocyclopent-(1S)-yl]-N-(thymin-1-acetyl)-glycine ethyl ester
• Formula: C21 H32 N4 O7
• Calculated formula: C21 H32 N4 O7
• SMILES: O=C(N([C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC1)CC(=O)OCC)CN1C(=O)NC(=O)C(=C1)C
• Title of publication: cis-Cyclopentyl PNA (cpPNA) as constrained chiral PNA analogues: stereochemical dependence of DNA/RNA hybridization.
• Authors of publication: Govindaraju, T; Kumar, Vaijayanti A; Ganesh, Krishna N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 860 - 861
• a: 10.6505 ± 0.0007 Å
• b: 10.6505 ± 0.0007 Å
• c: 43.402 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4923.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No