Information card for entry 4114439

Structure parameters

• Formula: C32 H32 N4 O6
• Calculated formula: C32 H32 N4 O6
• Title of publication: Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests
• Authors of publication: Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14972 - 14973
• a: 9.3219 ± 0.0004 Å
• b: 21.8875 ± 0.001 Å
• c: 13.9573 ± 0.0007 Å
• α: 90°
• β: 100.853 ± 0.001°
• γ: 90°
• Cell volume: 2796.8 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0758
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No