Information card for entry 1568567

Structure parameters

• Formula: C30 H44 B2 K2 O6
• Calculated formula: C30 H44 B2 K2 O6
• 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: 12.8057 ± 0.0007 Å
• b: 14.5978 ± 0.0009 Å
• c: 17.7056 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3309.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No