Information card for entry 4129430

Structure parameters

• Formula: C27 H21 B2 Br2 O4
• Calculated formula: C27 H21 B2 Br2 O4
• Title of publication: Aromaticity as stabilizing element in the bidentate activation for the catalytic reduction of carbon dioxide.
• Authors of publication: Lu, Zhenpin; Hausmann, Heike; Becker, Sabine; Wegner, Hermann A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 16
• Pages of publication: 5332 - 5335
• a: 13.2818 ± 0.0008 Å
• b: 5.4168 ± 0.0003 Å
• c: 17.4542 ± 0.0009 Å
• α: 90°
• β: 106.944 ± 0.002°
• γ: 90°
• Cell volume: 1201.23 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No