Information card for entry 7048426

Structure parameters

• Formula: C44 H50 B2 O2
• Calculated formula: C44 H50 B2 O2
• Title of publication: Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.
• Authors of publication: John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1871 - 1877
• a: 15.7492 ± 0.0016 Å
• b: 15.7492 ± 0.0016 Å
• c: 14.4036 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3094 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.2055
• Residual factor for significantly intense reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No