Information card for entry 7150723

Structure parameters

• Formula: C196 H270 Cl16 N16 O25 S9
• Calculated formula: C196 H270 Cl16 N16 O25 S9
• Title of publication: Macrocyclic oligoureas with xanthene and diphenyl ether units
• Authors of publication: Meshcheryakov, Denys; Bolte, Michael; Böhmer, Volker
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4386 - 4390
• a: 15.9483 ± 0.0004 Å
• b: 19.0501 ± 0.0005 Å
• c: 37.5597 ± 0.001 Å
• α: 93.08 ± 0.002°
• β: 98.429 ± 0.002°
• γ: 105.306 ± 0.002°
• Cell volume: 10836.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.1395
• Weighted residual factors for significantly intense reflections: 0.3821
• Weighted residual factors for all reflections included in the refinement: 0.4089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No