Information card for entry 1552826

Structure parameters

• Formula: C15 H18 I N3 O2
• Calculated formula: C15 H18 I N3 O2
• SMILES: O=C(N/N=C/c1cc[n+](cc1)C)c1ccccc1.OC.[I-]
• Title of publication: Dynamic Covalent Hydrazone Supramolecular Polymers toward Multiresponsive Self-Assembled Nanowire System
• Authors of publication: Kim, Kyung-su; Cho, Hye Jin; Lee, Jookyeong; Ha, Seonggyun; Song, Sun Gu; Kim, Seunghun; Yun, Wan Soo; Kim, Seong Kyu; Huh, Joonsuk; Song, Changsik
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 20
• Pages of publication: 8278
• a: 7.084 ± 0.012 Å
• b: 12.892 ± 0.012 Å
• c: 18.3 ± 0.02 Å
• α: 90°
• β: 96.39 ± 0.05°
• γ: 90°
• Cell volume: 1661 ± 4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No