Information card for entry 7118149

Structure parameters

• Common name: ALG-4-9
• Formula: C29 H36 Br O Si
• Calculated formula: C29 H36 Br O Si
• SMILES: Brc1ccccc1C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[Si](c1ccccc1)(C)C
• Title of publication: Copper-catalyzed silylation of p-quinone methides: new entry to dibenzylic silanes
• Authors of publication: Aurora Lopez; Alejandro Parra; Carlos Jarava-Barrera; Mariola Tortosa
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 17684
• a: 9.5769 ± 0.0003 Å
• b: 15.5585 ± 0.0005 Å
• c: 18.7701 ± 0.0006 Å
• α: 98.447 ± 0.001°
• β: 95.244 ± 0.001°
• γ: 94.691 ± 0.001°
• Cell volume: 2741.97 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No