Information card for entry 7042371

Structure parameters

• Chemical name: 1,4-bis(dimethylsilylchloro)benzene
• Formula: C10 H16 Cl2 Si2
• Calculated formula: C10 H16 Cl2 Si2
• SMILES: c1c(ccc(c1)[Si](C)(C)Cl)[Si](Cl)(C)C
• 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: 6.4554 ± 0.0004 Å
• b: 10.2475 ± 0.0006 Å
• c: 10.4165 ± 0.0007 Å
• α: 90°
• β: 96.7 ± 0.003°
• γ: 90°
• Cell volume: 684.36 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0291
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No