Information card for entry 1568569

Structure parameters

• Formula: C28 H34 B2 I Li O2
• Calculated formula: C28 H34 B2 I Li O2
• 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: 8.4929 ± 0.0003 Å
• b: 9.7032 ± 0.0003 Å
• c: 16.0667 ± 0.0006 Å
• α: 85.041 ± 0.003°
• β: 82.312 ± 0.003°
• γ: 84.756 ± 0.003°
• Cell volume: 1302.94 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No