Information card for entry 4516593

Structure parameters

• Formula: C26 H26 I2 N5
• Calculated formula: C26 H26 I2 N5
• SMILES: [I-].[I-].[n+]1(ccc(cc1)/C=C/c1ccncc1)C.[n+]1(ccc(/C=C/c2ccncc2)cc1)C.N
• Title of publication: Gemini-Type Supramolecular Amphiphile Based on a Water-Soluble Pillar[5]arene and an Azastilbene Guest and Its Application in Stimuli-Responsive Self-Assemblies.
• Authors of publication: Lv, Xiaoqing; Xia, Danyu; Zuo, Ying; Wu, Xiaoqin; Wei, Xuehong; Wang, Pi
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 25
• Pages of publication: 8383 - 8388
• a: 11.1255 ± 0.0009 Å
• b: 20.0207 ± 0.0016 Å
• c: 12.9989 ± 0.001 Å
• α: 90°
• β: 111.552 ± 0.002°
• γ: 90°
• Cell volume: 2692.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No