Information card for entry 1503304

Structure parameters

• Formula: C30 H40 N4 O7
• Calculated formula: C30 H40 N4 O7
• SMILES: C1[C@H]2[C@H]([C@H](C2)N1C(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H]([C@@H]1C2)C(=O)N1C[C@H]2[C@H]([C@@H]1C2)C(=O)N1C[C@H]2[C@H]([C@@H]1C2)C(=O)OC
• Title of publication: Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.
• Authors of publication: Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5438 - 5441
• a: 23.844 ± 0.006 Å
• b: 6.1411 ± 0.0012 Å
• c: 23.447 ± 0.005 Å
• α: 90°
• β: 110.722 ± 0.006°
• γ: 90°
• Cell volume: 3211.2 ± 1.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No