Information card for entry 4114725

Structure parameters

• Formula: C28 H24 Br O2
• Calculated formula: C28 H24 Br O2
• Title of publication: Gold(I) Macrocycles and Topologically Chiral [2]Catenanes
• Authors of publication: Christopher P. McArdle; Steve Van; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3959 - 3965
• a: 13.8604 ± 0.0004 Å
• b: 18.4059 ± 0.0008 Å
• c: 9.3622 ± 0.0003 Å
• α: 90°
• β: 102.925 ± 0.002°
• γ: 90°
• Cell volume: 2327.91 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.1111
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No