Information card for entry 7048428

Structure parameters

• Formula: C48 H36 B2 Cl6 S4
• Calculated formula: C48 H36 B2 Cl6 S4
• 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: 8.4808 ± 0.0012 Å
• b: 10.1241 ± 0.0017 Å
• c: 14.101 ± 0.002 Å
• α: 107.102 ± 0.013°
• β: 100.164 ± 0.012°
• γ: 93.247 ± 0.013°
• Cell volume: 1131.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No