Information card for entry 7156205

Structure parameters

• Formula: C142 H233 N33 O37
• Calculated formula: C142 H231 N33 O37
• 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: 9.0696 ± 0.0001 Å
• b: 21.623 ± 0.0003 Å
• c: 23.9383 ± 0.0004 Å
• α: 111.419 ± 0.001°
• β: 95.745 ± 0.001°
• γ: 98.514 ± 0.001°
• Cell volume: 4261.16 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No