Information card for entry 4503463

Structure parameters

• Formula: C36 H64 Cl2 N8 O6
• Calculated formula: C36 H64 Cl2 N8 O6
• 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: 16.9793 ± 0.0014 Å
• b: 9.1033 ± 0.0008 Å
• c: 27.391 ± 0.002 Å
• α: 90°
• β: 98.782 ± 0.001°
• γ: 90°
• Cell volume: 4184.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No