Information card for entry 7156209

Structure parameters

• Formula: C184 H302 N50 O46
• Calculated formula: C184 H302 N50 O46
• 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: 12.0625 ± 0.0003 Å
• b: 35.0403 ± 0.0008 Å
• c: 31.1624 ± 0.0008 Å
• α: 90°
• β: 100.906 ± 0.003°
• γ: 90°
• Cell volume: 12933.6 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0902
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No