Information card for entry 4073042

Structure parameters

• Formula: C47 H77 Al N2 O Si4
• Calculated formula: C47 H77 Al N2 O Si4
• SMILES: [Si](C1=C([Si](C)(C)C)C(=O)C2([Al]31[N](c1c(cccc1C(C)C)C(C)C)=C(C=C(N3c1c(cccc1C(C)C)C(C)C)C)C)C([Si](C)(C)C)=C2[Si](C)(C)C)(C)(C)C
• Title of publication: A Cyclopropenylaluminum Derivative from Hydrolysis and Alcoholysis of an Aluminacyclobutenone
• Authors of publication: Gao, Yihua; Cheng, Xiaoyan; Song, Haibin; Zhang, Jianying; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1308
• a: 11.1041 ± 0.0007 Å
• b: 38.623 ± 0.002 Å
• c: 12.8542 ± 0.0008 Å
• α: 90°
• β: 115.449 ± 0.002°
• γ: 90°
• Cell volume: 4977.9 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No