Information card for entry 4108436

Structure parameters

• Formula: C85 H89 Br2 N12 O18
• Calculated formula: C85.944 H87.71 Br2 N12 O18
• Title of publication: Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides
• Authors of publication: Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13210 - 13211
• a: 13.226 ± 0.004 Å
• b: 15.25 ± 0.004 Å
• c: 21.736 ± 0.007 Å
• α: 89.91 ± 0.02°
• β: 80.84 ± 0.02°
• γ: 78.995 ± 0.016°
• Cell volume: 4247 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1507
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2412
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No