Information card for entry 4022660

Structure parameters

• Formula: C19 H26 Br N3 O5
• Calculated formula: C19 H26 Br N3 O5
• SMILES: Brc1cc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2)c(OC)c(C(=O)NC)c1
• Title of publication: Enforcing Periodic Secondary Structures in Hybrid Peptides: A Novel Hybrid Foldamer Containing Periodic γ-Turn Motifs
• Authors of publication: Pranjal K. Baruah; N. K. Sreedevi; Rajesh Gonnade; Sapna Ravindranathan; Krishnan Damodaran; Hans-Jörg Hofmann; Gangadhar J. Sanjayan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 636 - 639
• a: 10.209 ± 0.002 Å
• b: 9.5116 ± 0.0018 Å
• c: 11.486 ± 0.002 Å
• α: 90°
• β: 95.826 ± 0.003°
• γ: 90°
• Cell volume: 1109.6 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No