Information card for entry 7042370

Structure parameters

• Chemical name: 1,4-bis(diisopropylsilylchloro)benzene
• Formula: C18 H32 Cl2 Si2
• Calculated formula: C18 H32 Cl2 Si2
• SMILES: C(C)(C)[Si](c1ccc(cc1)[Si](C(C)C)(C(C)C)Cl)(C(C)C)Cl
• Title of publication: Synthesis of heteroatomic bridged paracyclophanes.
• Authors of publication: Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4530 - 4541
• a: 8.7688 ± 0.0004 Å
• b: 10.4447 ± 0.0005 Å
• c: 11.9094 ± 0.0006 Å
• α: 90°
• β: 103.242 ± 0.004°
• γ: 90°
• Cell volume: 1061.75 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No