Information card for entry 7042375

Structure parameters

• Formula: C18.5 H34.5 Cl1.5 O2 Si2
• Calculated formula: C18.5 H34.5 Cl1.5 O2 Si2
• SMILES: c1c(ccc(c1)[Si](O)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)O.C(Cl)(Cl)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: 12.4377 ± 0.0009 Å
• b: 12.9833 ± 0.0008 Å
• c: 15.6637 ± 0.001 Å
• α: 104.231 ± 0.002°
• β: 105.552 ± 0.002°
• γ: 101.563 ± 0.002°
• Cell volume: 2263.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No