Information card for entry 7103336

Structure parameters

• Common name: 04srv014
• Formula: C57.5 H71 N7 O3
• Calculated formula: C57.49 H62.97 N7 O3
• Title of publication: Highly diastereoselective self-assembly of chiral tris(m-ureidobenzyl)amino capsules.
• Authors of publication: Alajarín, Mateo; Pastor, Aurelia; Orenes, Raúl-Angel; Goeta, Andres E; Steed, Jonathan W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 3992 - 3994
• a: 14.856 ± 0.002 Å
• b: 16.166 ± 0.003 Å
• c: 22.046 ± 0.004 Å
• α: 90.715 ± 0.003°
• β: 90.263 ± 0.004°
• γ: 113.493 ± 0.003°
• Cell volume: 4855.1 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No