Information card for entry 1567619

Structure parameters

• Formula: C57 H49 Cl4 N5
• Calculated formula: C57 H49 Cl4 N5
• Title of publication: Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs
• Authors of publication: Karak, Pirudhan; Choudhury, Joyanta
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 37
• Pages of publication: 11163 - 11173
• a: 17.0926 ± 0.0014 Å
• b: 16.467 ± 0.0012 Å
• c: 17.5046 ± 0.0013 Å
• α: 90°
• β: 113.674 ± 0.002°
• γ: 90°
• Cell volume: 4512.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No