Information card for entry 1568568

Structure parameters

• Formula: C23 H26 B2 Cl2 S2
• Calculated formula: C23 H26 B2 Cl2 S2
• Title of publication: Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.
• Authors of publication: Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5316 - 5322
• a: 12.793 ± 0.0004 Å
• b: 10.3041 ± 0.0002 Å
• c: 18.528 ± 0.0005 Å
• α: 90°
• β: 108.578 ± 0.003°
• γ: 90°
• Cell volume: 2315.1 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No