Information card for entry 7052238

Structure parameters

• Formula: C64 H76 O2
• Calculated formula: C64 H76 O2
• 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: 21.7567 ± 0.0007 Å
• b: 12.5555 ± 0.0004 Å
• c: 19.2403 ± 0.0006 Å
• α: 90°
• β: 109.834 ± 0.002°
• γ: 90°
• Cell volume: 4944 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No