Information card for entry 8101592

Structure parameters

• Formula: C17 H22 O3 Si
• Calculated formula: C17 H22 O3 Si
• SMILES: [C@@H]12[C@@H]([C@@H](C[C@@H]1C(=O)C2)OC(=O)C)[Si](C)(C)c1ccccc1
• Title of publication: Crystal structure of (1R,2S,3R,5S)-2-(dimethylphenylsilyl)-6-oxobicyclo [3.2.0]hept-3-yl acetate, C~17~H~22~O~3~Si
• Authors of publication: Tinant, Bernard; Declercq, Jean-Paul; Demaret, Christian; Adam, Jean-Michel; Ghosez, Leon
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 577 - 578
• a: 11.221 ± 0.001 Å
• b: 11.261 ± 0.001 Å
• c: 13.165 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0354
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No