Information card for entry 4063155

Structure parameters

• Formula: C14 H12 O4 Si
• Calculated formula: C14 H12 O4 Si
• SMILES: C1(=O)C(=CC(=O)C=C1)[Si](C)(C)C1=CC(=O)C=CC1=O
• Title of publication: Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether
• Authors of publication: Tsutsui, Shinobu; Sakamoto, Kenkichi
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 6.786 ± 0.0009 Å
• b: 11.7022 ± 0.0015 Å
• c: 17.048 ± 0.002 Å
• α: 90°
• β: 99.913 ± 0.002°
• γ: 90°
• Cell volume: 1333.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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