Information card for entry 1515344

Structure parameters

• Formula: C39 H86 Cl2 N2 O2
• Calculated formula: C39 H86 Cl2 N2 O2
• SMILES: [Cl-].[Cl-].[N+](CC(O)C[N+](C)(C)CCCCCCCCCCCCCCCC)(C)(C)CCCCCCCCCCCCCCCC.O
• Title of publication: Phase and rheological behavior of a gemini cationic surfactant aqueous system
• Authors of publication: Wei, Xi-Lian; Wang, Xiu-Hong; Sun, De-Zhi; Liu, Ji-Feng; Liu, Jie; Sha, Yu-Hong; Wang, Zhong-Ni
• Journal of publication: Soft Matter
• Year of publication: 2012
• Journal volume: 8
• Journal issue: 39
• Pages of publication: 10115
• a: 27.977 ± 0.003 Å
• b: 9.5824 ± 0.0009 Å
• c: 17.1634 ± 0.0015 Å
• α: 90°
• β: 102.438 ± 0.002°
• γ: 90°
• Cell volume: 4493.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.2465
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No