Information card for entry 4028633

Structure parameters

• Formula: C59 H95 Cl9 N10 O13
• Calculated formula: C59 H95 Cl9 N10 O13
• 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)N[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C(=O)OC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 9.6333 ± 0.0011 Å
• b: 35.622 ± 0.004 Å
• c: 10.5239 ± 0.0012 Å
• α: 90°
• β: 93.74 ± 0.002°
• γ: 90°
• Cell volume: 3603.7 ± 0.7 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0385
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No