Information card for entry 4038462

Structure parameters

• Formula: C22 H30 O6
• Calculated formula: C22 H30 O6
• 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: 6.3185 ± 0.0003 Å
• b: 12.4574 ± 0.0004 Å
• c: 13.2815 ± 0.0005 Å
• α: 90°
• β: 102.049 ± 0.002°
• γ: 90°
• Cell volume: 1022.38 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for significantly intense reflections: 1.7
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No