Information card for entry 4503466

Structure parameters

• Formula: C64 H63 N22 O30.5
• Calculated formula: C64 H63 N22 O30.5
• Title of publication: Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation
• Authors of publication: Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 2842
• a: 11.6884 ± 0.0008 Å
• b: 14.0632 ± 0.001 Å
• c: 46.042 ± 0.003 Å
• α: 90°
• β: 91.936 ± 0.001°
• γ: 90°
• Cell volume: 7563.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No