Information card for entry 4028632

Structure parameters

• Formula: C46 H76 N8 O11
• Calculated formula: C46 H76 N8 O11
• SMILES: C(C)(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C(=O)OC
• Title of publication: Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid
• Authors of publication: Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 9991 - 9994
• a: 16.1213 ± 0.0019 Å
• b: 9.1571 ± 0.0011 Å
• c: 16.935 ± 0.002 Å
• α: 90°
• β: 98.899 ± 0.002°
• γ: 90°
• Cell volume: 2469.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No