Information card for entry 7115099

Structure parameters

• Formula: C30 H60 N2
• Calculated formula: C30 H60 N2
• Title of publication: Structure and polymorphism of the 10.10.10 Simmons and Park cryptand
• Authors of publication: Batsanov, Andrei S.; Blake, Alexander J.; Hext, Nicholas M.; Mascal, Mark
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 127
• a: 13.515 ± 0.001 Å
• b: 16.643 ± 0.001 Å
• c: 13.934 ± 0.001 Å
• α: 90°
• β: 103.12 ± 0.01°
• γ: 90°
• Cell volume: 3052.4 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.254
• 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: Yes
• Has Fobs: No