Information card for entry 1547807

Structure parameters

• Formula: C76 H64 Cl4 N2 O12
• Calculated formula: C76 H64 Cl4 N2 O12
• Title of publication: Multi-modulation for self-assemblies of amphiphilic rigid‒soft compounds through alteration of solution polarity and temperature
• Authors of publication: Li, Xiaoying; Poon, Chun-Ting; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Chan, Alan Kwun-Wa; Wu, Lixin; Yam, Vivian Wing-Wah
• Journal of publication: Soft Matter
• Year of publication: 2017
• a: 10.91 ± 0.005 Å
• b: 13.241 ± 0.008 Å
• c: 14.469 ± 0.007 Å
• α: 103.07 ± 0.02°
• β: 106.042 ± 0.017°
• γ: 113.592 ± 0.019°
• Cell volume: 1701 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No