Information card for entry 7150990

Structure parameters

• Formula: C89 H106 N10 O8
• Calculated formula: C89 H106 N10 O8
• Title of publication: Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties
• Authors of publication: Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3244 - 3255
• a: 14.9282 ± 0.0013 Å
• b: 18.9297 ± 0.0017 Å
• c: 19.2836 ± 0.0016 Å
• α: 61.351 ± 0.006°
• β: 86.758 ± 0.007°
• γ: 71.553 ± 0.007°
• Cell volume: 4506.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1361
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.286
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No