Information card for entry 4020658

Structure parameters

• Common name: Ferrocenyl(trimethylsilyl)cyclobutenedione
• Formula: C17 H18 Fe O2 Si
• Calculated formula: C17 H18 Fe O2 Si
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]5[cH]6[cH]7[cH]81)C1=C([Si](C)(C)C)C(=O)C1=O
• Title of publication: Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements
• Authors of publication: Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9556 - 9561
• a: 6.87 ± 0.001 Å
• b: 20.553 ± 0.004 Å
• c: 11.365 ± 0.003 Å
• α: 90°
• β: 104.83°
• γ: 90°
• Cell volume: 1551.3 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No