Information card for entry 3500066

Structure parameters

• Chemical name: Ethanone, 2-bromo-1-(4-pyrenyl)-
• Formula: C18 H11 Br O
• Calculated formula: C18 H11 Br O
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2017
• a: 4.4651 ± 0.0001 Å
• b: 13.7593 ± 0.0004 Å
• c: 20.7282 ± 0.0007 Å
• α: 90°
• β: 90.857 ± 0.001°
• γ: 90°
• Cell volume: 1273.33 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.023
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes