Information card for entry 1551369

Structure parameters

• Formula: C144.25 H160 Br0.8 N36.25 O69.5 S2
• Calculated formula: C144.25 H160 Br0.8 N36.25 O69.5 S2
• SMILES: O=C(N)CNC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)c2nc3c(NC(=O)c4nc(CNC(=O)c5nc6c(NC(=O)c7nc(CNC(=O)CSC1)ccc7)cccc6c(OCC(=O)O)c5)ccc4)cccc3c(OCC(=O)O)c2)Cc1ccccc1)CCCCN)CCCCN)CCCCN.C(N)CCC[C@H]1C(=O)N[C@H](C(N[C@H](C(N[C@@H](CSCC(NCc2nc(C(=O)Nc3c4nc(cc(OCC(=O)O)c4ccc3)C(NCc3cccc(C(=O)Nc4c5nc(C(NCC(=O)N[C@H](C(N1)=O)Cc1ccccc1)=O)cc(OCC(=O)O)c5ccc4)n3)=O)ccc2)=O)C(=O)NCC(=O)N)=O)CCCCN)=O)CCCCN.O.O.O.O.O.O.O.O.[Br-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Ribosomal synthesis and folding of peptide-helical aromatic foldamer hybrids
• Authors of publication: Joseph M. Rogers; Sunbum Kwon; Simon J. Dawson; Pradeep K. Mandal; Hiroaki Suga; Ivan Huc
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 405 - 412
• a: 19.8457 ± 0.0004 Å
• b: 23.3538 ± 0.0006 Å
• c: 27.1601 ± 0.0005 Å
• α: 106.247 ± 0.002°
• β: 106.538 ± 0.002°
• γ: 101.356 ± 0.002°
• Cell volume: 11049.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.1355
• Weighted residual factors for significantly intense reflections: 0.3964
• Weighted residual factors for all reflections included in the refinement: 0.4202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.689
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No