Information card for entry 7048427

Structure parameters

• Formula: C70 H74 B2
• Calculated formula: C70 H74 B2
• 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: 11.0286 ± 0.0009 Å
• b: 11.0444 ± 0.0009 Å
• c: 13.2897 ± 0.0011 Å
• α: 94.589 ± 0.007°
• β: 98.39 ± 0.006°
• γ: 115.448 ± 0.006°
• Cell volume: 1427.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No