Information card for entry 1503303

Structure parameters

• Formula: C19 H26 N2 O3
• Calculated formula: C19 H26 N2 O3
• SMILES: C1[C@H]2[C@H]([C@H](C2)N1C(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)C
• 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: 6.1289 ± 0.0007 Å
• b: 14.4426 ± 0.0017 Å
• c: 21.1 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.7 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No