Information card for entry 4038461

Structure parameters

• Formula: C20 H28 Br2 O4
• Calculated formula: C20 H28 Br2 O4
• Title of publication: Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.
• Authors of publication: Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.1153 ± 0.0003 Å
• b: 14.0361 ± 0.0007 Å
• c: 10.9661 ± 0.0005 Å
• α: 90°
• β: 106.576 ± 0.0013°
• γ: 90°
• Cell volume: 1049.68 ± 0.08 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: 0.0634
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No