Information card for entry 1506204

Structure parameters

• Formula: C38 H54 Cl7 N O2 Si
• Calculated formula: C38 H54 Cl7 N O2 Si
• SMILES: [Cl-].ClC(Cl)Cl.ClC(Cl)Cl.[Si](O)(O)(c1cccc2ccccc12)c1cccc2ccccc12.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Anion recognition by a silanediol-based receptor.
• Authors of publication: Kondo, Shin-Ichi; Harada, Tomomi; Tanaka, Ryoji; Unno, Masafumi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4621 - 4624
• a: 13.328 ± 0.007 Å
• b: 22.154 ± 0.008 Å
• c: 15.638 ± 0.006 Å
• α: 90 ± 0.005°
• β: 108.17 ± 0.006°
• γ: 90 ± 0.005°
• Cell volume: 4387 ± 3 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.774
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No