Information card for entry 7115218

Structure parameters

• Formula: C27.5 H27.5 N4 O6
• Calculated formula: C27.5 H27.5 N4 O6
• Title of publication: Design, synthesis and self-association behavior of water soluble self complementary facial amphiphiles
• Authors of publication: Isaacs, Lyle; Fettinger, James C.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2549
• a: 17.973 ± 0.002 Å
• b: 14.284 ± 0.003 Å
• c: 19.986 ± 0.004 Å
• α: 90°
• β: 106.05 ± 0.011°
• γ: 90°
• Cell volume: 4930.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No