Information card for entry 7052239

Structure parameters

• Formula: C57 H62.5 N2.5
• Calculated formula: C57 H62 N2.5
• Title of publication: Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions
• Authors of publication: Torsten Müller; Wilhelm Seichter; Edwin Weber
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 751
• a: 10.7534 ± 0.0006 Å
• b: 11.5581 ± 0.0006 Å
• c: 19.0689 ± 0.0011 Å
• α: 98.037 ± 0.003°
• β: 105.183 ± 0.003°
• γ: 99.764 ± 0.003°
• Cell volume: 2211.5 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No