Information card for entry 1573185

Structure parameters

• Formula: C20 H28 Al2 Br2 O2
• Calculated formula: C20 H28 Al2 Br2 O2
• SMILES: c12c(cccc1)[Al](c1c([Al]2([O](CC)CC)Br)cccc1)([O](CC)CC)Br
• Title of publication: Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
• Authors of publication: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 147 - 155
• a: 19.694 ± 0.003 Å
• b: 7.0404 ± 0.0006 Å
• c: 19.08 ± 0.004 Å
• α: 90°
• β: 120.073 ± 0.018°
• γ: 90°
• Cell volume: 2289.4 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No