Information card for entry 1504159

Structure parameters

• Formula: C46 H59 I2 N14 O11.5
• Calculated formula: C46 H48 I2 N14 O11.5
• Title of publication: Glycoluril trimers: selective synthesis and supramolecular properties.
• Authors of publication: Stancl, Marek; Hodan, Martin; Sindelar, Vladimir
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4184 - 4187
• a: 15.4095 ± 0.0002 Å
• b: 13.0685 ± 0.0003 Å
• c: 25.1488 ± 0.0004 Å
• α: 90°
• β: 94.613 ± 0.001°
• γ: 90°
• Cell volume: 5048.04 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No