Information card for entry 7030926

Structure parameters

• Formula: C26 H38 B2 N4 O2 Si2
• Calculated formula: C26 H38 B2 N4 O2 Si2
• SMILES: [Si](c1ccc([B]2(OC)[n]3n([B](OC)([n]4n2ccc4)c2ccc([Si](C)(C)C)cc2)ccc3)cc1)(C)(C)C
• Title of publication: Synthesis and characterisation of the complete series of B-N analogues of triptycene.
• Authors of publication: Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8241 - 8253
• a: 12.4434 ± 0.001 Å
• b: 20.6663 ± 0.0013 Å
• c: 12.4374 ± 0.0011 Å
• α: 90°
• β: 109.677 ± 0.006°
• γ: 90°
• Cell volume: 3011.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1584
• 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