Information card for entry 7156208

Structure parameters

• Formula: C78 H133 N19 O19
• Calculated formula: C78 H129 N19 O19
• 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: 29.04 ± 0.02 Å
• b: 33.47 ± 0.02 Å
• c: 10.3 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10011 ± 13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2663
• Weighted residual factors for all reflections included in the refinement: 0.2748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.635
• Diffraction radiation wavelength: 0.92 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No