Information card for entry 7050508

Structure parameters

• Formula: C22 H40 Br2 N2 O3 Si4
• Calculated formula: C18 H32 Br2 N2 O2 Si4
• SMILES: c12[nH+]c([Si](C)(C)O[Si](c3cccc([nH+]3)[Si](O[Si]1(C)C)(C)C)(C)C)ccc2.[Br-].[Br-]
• Title of publication: Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units
• Authors of publication: Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 994 - 999
• a: 23.444 ± 0.005 Å
• b: 12.699 ± 0.005 Å
• c: 10.521 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3132 ± 2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No