Information card for entry 1572248

Structure parameters

• Formula: C50 H54 Cl6 N4 O4 P2
• Calculated formula: C50 H54 Cl6 N4 O4 P2
• SMILES: P(=Nc1c(Cl)cc(C(=O)OCC[N+](C)(C)C)cc1Cl)(c1ccccc1)(c1ccccc1)CCP(=Nc1c(Cl)cc(C(=O)OCC[N+](C)(C)C)cc1Cl)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
• Title of publication: Azaylide-based gemini amphiphiles displaying unique self-assembling behavior <i>via</i> an even-odd effect of alkyl linker chain length.
• Authors of publication: Akiyama, Yoshimori; Yamashina, Masahiro; Toyota, Shinji
• Journal of publication: Soft matter
• Year of publication: 2024
• Journal volume: 20
• Journal issue: 33
• Pages of publication: 6539 - 6543
• a: 9.4418 ± 0.0003 Å
• b: 17.2643 ± 0.0012 Å
• c: 17.542 ± 0.001 Å
• α: 78.146 ± 0.005°
• β: 78.602 ± 0.004°
• γ: 81.396 ± 0.004°
• Cell volume: 2725.5 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.3646
• Weighted residual factors for all reflections included in the refinement: 0.3917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No