Information card for entry 4028570

Structure parameters

• Formula: C47 H63 Cl2 N8 O16
• Calculated formula: C47 H63 Cl2 N8 O16
• Title of publication: Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies
• Authors of publication: Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8759 - 8765
• a: 20.207 ± 0.0019 Å
• b: 16.6727 ± 0.0016 Å
• c: 31.039 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10457.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No