Information card for entry 7048421

Structure parameters

• Formula: C34 H50 B2 O4
• Calculated formula: C34 H50 B2 O4
• 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: 11.2074 ± 0.0003 Å
• b: 22.0029 ± 0.0006 Å
• c: 27.0385 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6667.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No