Information card for entry 4071995

Structure parameters

• Formula: C38 H34 B2
• Calculated formula: C38 H34 B2
• Title of publication: Syntheses and Structures of 6,13-Dihydro-6,13-diborapentacenes: π-Stacking in Heterocyclic Analogues of Pentacene
• Authors of publication: Chen, Jinhui; Kampf, Jeff W.; Ashe, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3639
• a: 30.2192 ± 0.0012 Å
• b: 30.2192 ± 0.0012 Å
• c: 8.4832 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6709 ± 0.7 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No