Information card for entry 4022612

Structure parameters

• Formula: C73 H78 Cl2
• Calculated formula: C73 H78 Cl2
• Title of publication: Double-Stranded Cycles: Toward C~84~'s Belt Region
• Authors of publication: Mihaiela Stuparu; Volker Gramlich; Amnon Stanger; A. Dieter Schlüter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 424 - 430
• a: 12.907 ± 0.003 Å
• b: 17.163 ± 0.003 Å
• c: 13.244 ± 0.003 Å
• α: 90°
• β: 106.09 ± 0.03°
• γ: 90°
• Cell volume: 2818.9 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No