Information card for entry 1549684

Structure parameters

• Formula: C72 H87.5 N8 O11.75
• Calculated formula: C72 H87.5 N8 O11.75
• Title of publication: Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.
• Authors of publication: Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 33
• Pages of publication: 6860 - 6870
• a: 15.5782 ± 0.0006 Å
• b: 18.4753 ± 0.0005 Å
• c: 24.4315 ± 0.0007 Å
• α: 90°
• β: 91.976 ± 0.003°
• γ: 90°
• Cell volume: 7027.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1089
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No