Information card for entry 7156772

Structure parameters

• Formula: C37 H37 N3 O9
• Calculated formula: C37 H37 N3 O9
• Title of publication: Control of conformation in α-helix mimicking aromatic oligoamide foldamers through interactions between adjacent side-chains.
• Authors of publication: Arrata, Irene; Grison, Claire M.; Coubrough, Heather M.; Prabhakaran, Panchami; Little, Marc A.; Tomlinson, Darren C.; Webb, Michael E.; Wilson, Andrew J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3861 - 3867
• a: 10.6086 ± 0.0014 Å
• b: 11.1096 ± 0.0013 Å
• c: 15.126 ± 0.002 Å
• α: 104.594 ± 0.003°
• β: 106.964 ± 0.004°
• γ: 93.19 ± 0.003°
• Cell volume: 1634 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No