Information card for entry 7101317

Structure parameters

• Formula: C27 H39 N3 O9
• Calculated formula: C27 H39 N3 O9
• SMILES: c1(C(=O)N[C@H](C(=O)OC)C(C)C)cc(cc(c1)C(=O)N[C@H](C(=O)OC)C(C)C)C(=O)N[C@H](C(=O)OC)C(C)C
• Title of publication: Formation of triple helical nanofibers using self-assembling chiral pseudopeptides and reversal of the nanostructure's handedness using mirror image building blocks
• Authors of publication: Arindam Banerjee; Partha Pratim Bose; Apurba Das; M.Drew
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 30
• a: 15.769 ± 0.003 Å
• b: 15.769 ± 0.003 Å
• c: 7.091 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1527 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2352
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No