Information card for entry 1547765

Structure parameters

• Formula: C28 H42 F2 N4 O12.5
• Calculated formula: C28 H42 F2 N4 O12.5
• Title of publication: Self-Assembly of Fluorinated Sugar Amino Acid Derived α,γ-Cyclic Peptides into Transmembrane Anion Transport.
• Authors of publication: Burade, Sachin S.; Saha, Tanmoy; Bhuma, Naresh; Kumbhar, Navanath; Kotmale, Amol; Rajamohanan, Pattuparambil R.; Gonnade, Rajesh G.; Talukdar, Pinaki; Dhavale, Dilip D.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5948 - 5951
• a: 14.578 ± 0.002 Å
• b: 13.1698 ± 0.0017 Å
• c: 19.698 ± 0.003 Å
• α: 90°
• β: 106.053 ± 0.007°
• γ: 90°
• Cell volume: 3634.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1728
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.3783
• Weighted residual factors for all reflections included in the refinement: 0.4271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.497
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No