Information card for entry 7030928

Structure parameters

• Formula: C32 H54 B4 Cl4 N8 Si4
• Calculated formula: C32 H54 B4 Cl4 N8 Si4
• SMILES: C[Si](C)(C)c1c[n]2[BH]3c4c([BH](n2c1)n1cc(c[n]31)[Si](C)(C)C)cc1[BH]2[n]3cc(cn3[BH](c1c4)n1cc(c[n]21)[Si](C)(C)C)[Si](C)(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 10.61 ± 0.002 Å
• b: 11.003 ± 0.003 Å
• c: 12.115 ± 0.003 Å
• α: 63.855 ± 0.017°
• β: 70.231 ± 0.017°
• γ: 80.803 ± 0.017°
• Cell volume: 1194.7 ± 0.5 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: 0.189
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No