Information card for entry 1573552

Structure parameters

• Formula: C19 H17 N3
• Calculated formula: C19 H17 N3
• Title of publication: pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.
• Authors of publication: Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1772 - 1782
• a: 9.295 ± 0.002 Å
• b: 9.499 ± 0.002 Å
• c: 10.348 ± 0.002 Å
• α: 79.673 ± 0.01°
• β: 65.183 ± 0.008°
• γ: 63.713 ± 0.009°
• Cell volume: 743.5 ± 0.3 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No