Information card for entry 4122049

Structure parameters

• Formula: C54 H86 N2 O2 Si2
• Calculated formula: C54 H86 N2 O2 Si2
• SMILES: [Si@@]12([Si@@H](c3c(cccc3C2(C)C)C(C)C)C2=NC(C)(CC32CCCCC3)C)C(=N\c2c(cccc2C(C)C)C(C)C)/C2(CCCCC2)CC1(C)C.C1CCOC1.C1COCC1.[Si@]12([Si@H](c3c(cccc3C2(C)C)C(C)C)C2=NC(C)(CC32CCCCC3)C)C(=N\c2c(cccc2C(C)C)C(C)C)/C2(CCCCC2)CC1(C)C.C1CCOC1.C1COCC1
• Title of publication: One-electron-mediated rearrangements of 2,3-disiladicarbene.
• Authors of publication: Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 8919 - 8922
• a: 9.8211 ± 0.0004 Å
• b: 15.0223 ± 0.0006 Å
• c: 17.9364 ± 0.0007 Å
• α: 100.453 ± 0.0014°
• β: 101.946 ± 0.0016°
• γ: 96.728 ± 0.0017°
• Cell volume: 2512.85 ± 0.18 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: 0.0441
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No