Information card for entry 4020908

Structure parameters

• Formula: C12 H23 N O5 S
• Calculated formula: C12 H23 N O5 S
• SMILES: [C@H]1([C@H](CCCC1)NC(=O)OC(C)(C)C)OS(=O)(=O)C
• Title of publication: Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition
• Authors of publication: T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1858 - 1865
• a: 5.2293 ± 0.0006 Å
• b: 9.0539 ± 0.001 Å
• c: 32.279 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No