Information card for entry 1555583

Structure parameters

• Common name: bcg2-15B
• Formula: C43 H47 N3 O5
• Calculated formula: C43 H47 N3 O5
• SMILES: CC(=O)N([C@@H](C)c1c2c(ccc1)cccc2)CC(=O)N([C@H](C)c1cccc2c1cccc2)CC(=O)N[C@@H](C)c1c2c(ccc1)cccc2.OC.O
• Title of publication: Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.
• Authors of publication: Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2780 - 2783
• a: 8.9792 ± 0.0007 Å
• b: 16.193 ± 0.0013 Å
• c: 13.2363 ± 0.001 Å
• α: 90°
• β: 106.625 ± 0.001°
• γ: 90°
• Cell volume: 1844.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No