Information card for entry 7105584

Structure parameters

• Formula: C16 H22 B2 S2
• Calculated formula: C16 H22 B2 S2
• SMILES: [S]([BH]1c2c([BH]([S](C)C)c3c1cccc3)cccc2)(C)C
• Title of publication: Lewis-base adducts of 9,10-dihydro-9,10-diboraanthracene: ditopic hydroboration reagents and a B-N analogue of triptycene.
• Authors of publication: Lorbach, Andreas; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3592 - 3594
• a: 14.0791 ± 0.0011 Å
• b: 7.3214 ± 0.0005 Å
• c: 16.6356 ± 0.0014 Å
• α: 90°
• β: 102.414 ± 0.006°
• γ: 90°
• Cell volume: 1674.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No