Information card for entry 7052234

Structure parameters

• Formula: C49 H72 O3.5
• Calculated formula: C49 H33.5 O3.5
• 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: 10.54 ± 0.001 Å
• b: 11.616 ± 0.001 Å
• c: 18.944 ± 0.006 Å
• α: 101.42 ± 0.01°
• β: 104.02 ± 0.01°
• γ: 98.35 ± 0.01°
• Cell volume: 2159.7 ± 0.8 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections: 0.2778
• Weighted residual factors for significantly intense reflections: 0.2639
• Goodness-of-fit parameter for all reflections: 1.205
• Goodness-of-fit parameter for significantly intense reflections: 1.303
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No