Information card for entry 4020143

Structure parameters

• Formula: C53 H46
• Calculated formula: C53 H46
• Authors of publication: Michael J. Marsella; Kunsang Yoon; Samia Estassi; Fook S. Tham; Dan B. Borchardt; Binh H. Bui; Peter R. Schreiner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1881 - 1884
• a: 16.469 ± 0.003 Å
• b: 9.1484 ± 0.0016 Å
• c: 25.911 ± 0.004 Å
• α: 90°
• β: 106.831 ± 0.004°
• γ: 90°
• Cell volume: 3736.6 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 2
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No