Information card for entry 7156354

Structure parameters

• Formula: C55 H58 N2 O9 S
• Calculated formula: C55 H58 N2 O9 S
• Title of publication: "Choose-a-size" control in the synthesis of sucrose based urea and thiourea macrocycles.
• Authors of publication: Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 6063 - 6069
• a: 11.1611 ± 0.0007 Å
• b: 18.4375 ± 0.0011 Å
• c: 23.2735 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4789.3 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No