Information card for entry 4503465

Structure parameters

• Formula: C72 H118 I6 N16 O5
• Calculated formula: C72 H118 I6 N16 O5
• 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: 15.6852 ± 0.001 Å
• b: 27.582 ± 0.0018 Å
• c: 20.0607 ± 0.0013 Å
• α: 90°
• β: 95.316 ± 0.001°
• γ: 90°
• Cell volume: 8641.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No