Information card for entry 1573550

Structure parameters

• Formula: C38 H32 N4 O2
• Calculated formula: C38 H32 N4 O2
• SMILES: c1([nH]c(cc1)/C=N/c1ccccc1O)C(=C(c1ccc(C)cc1)\c1[nH]c(cc1)/C=N/c1ccccc1O)\c1ccc(C)cc1
• 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: 7.2089 ± 0.0007 Å
• b: 9.3281 ± 0.0009 Å
• c: 11.0857 ± 0.0013 Å
• α: 97.148 ± 0.009°
• β: 92.22 ± 0.009°
• γ: 96.254 ± 0.008°
• Cell volume: 734.23 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No