Information card for entry 4063211

Structure parameters

• Formula: C48 H76 Li4 N4 Si4
• Calculated formula: C48 H76 Li4 N4 Si4
• SMILES: [Si]1(c2ccc3[c]45(c2)[Li]2([N](C3)(C)C)[c]367cc8ccc3C[N](C)(C)[Li]46[c]346c(ccc(c3)[Si](C)(C)CC1)C[N](C)(C)[Li]74[c]132c(ccc(c1)[Si](C)(C)CC[Si]8(C)C)C[N](C)(C)[Li]563)(C)C
• Title of publication: Dendritic Carbosilanes Containing Silicon-Bonded 1-[C6H2(CH2NMe2)2-3,5-Li-4] or 1-[C6H3(CH2NMe2)-4-Li-3] Mono- and Bis(amino)aryllithium End Groups: Structure of {[CH2SiMe2C6H3(CH2NMe2)-4-Li-3]2}2
• Authors of publication: Arjan W. Kleij; Henk Kleijn; Johann T. B. H. Jastrzebski; Wilberth J. J. Smeets; Anthony L. Spek; Gerard van Koten
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Pages of publication: 268 - 276
• a: 16.8228 ± 0.0012 Å
• b: 16.2206 ± 0.0011 Å
• c: 19.6787 ± 0.0015 Å
• α: 90°
• β: 107.566 ± 0.007°
• γ: 90°
• Cell volume: 5119.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1953
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No