Information card for entry 7156206

Structure parameters

• Formula: C69 H113 N17 O18
• Calculated formula: C69 H113 N17 O18
• Title of publication: How are 1,2,3-triazoles accommodated in helical secondary structures?
• Authors of publication: Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3576 - 3583
• a: 24.5384 ± 0.0013 Å
• b: 8.9796 ± 0.0005 Å
• c: 40.3241 ± 0.0019 Å
• α: 90°
• β: 105.026 ± 0.005°
• γ: 90°
• Cell volume: 8581.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No