Information card for entry 7108233

Structure parameters

• Common name: foldamers
• Formula: C17 H24 N2 O5 S
• Calculated formula: C17 H22.8 N2 O5 S
• Title of publication: Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding
• Authors of publication: Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8922
• a: 9.2214 ± 0.0004 Å
• b: 9.2214 ± 0.0004 Å
• c: 46.482 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3952.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No