Information card for entry 4106592

Structure parameters

• Chemical name: 2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl} -1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane-2,4-diyl
• Formula: C54 H116 N2 O Si12
• Calculated formula: C54 H116 N2 O Si12
• SMILES: C([Si](C([Si](C)(C)C)[Si](C)(C)C)(C(C)C)[Si]1N(c2cc(cc(c2)C)C)[Si](N1c1cc(cc(c1)C)C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)([Si](C)(C)C)[Si](C)(C)C.O1CCCC1
• Title of publication: Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne
• Authors of publication: Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12478 - 12481
• a: 33.068 ± 0.003 Å
• b: 17.4569 ± 0.0017 Å
• c: 11.9688 ± 0.0011 Å
• α: 90°
• β: 93.376 ± 0.001°
• γ: 90°
• Cell volume: 6897.2 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No