Information card for entry 2300503

Structure parameters

• Formula: C42 H80 Br2 N2 O3
• Calculated formula: C42 H80 Br2 N2 O3
• Title of publication: Monolayer effect of a gemini surfactant with a rigid biphenyl spacer on its self-crystallization at the air/liquid interface
• Authors of publication: Chen, Qibin; Yao, Junyao; Hu, Xin; Shen, Jincheng; Sheng, Yujie; Liu, Honglai
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 3
• a: 54.695 ± 0.002 Å
• b: 9.8891 ± 0.0004 Å
• c: 16.877 ± 0.0006 Å
• α: 90°
• β: 92.628 ± 0.005°
• γ: 90°
• Cell volume: 9118.9 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.3304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes