Information card for entry 7100205

Structure parameters

• Formula: C23 H22 O S
• Calculated formula: C23 H22 O S
• SMILES: S(=O)(c1c2CCc3ccc(CCc(c1)cc2)cc3)c1ccc(cc1)C
• Title of publication: The facile synthesis of enantiomerically pure 4-substituted [2.2]paracyclophanes
• Authors of publication: Gareth J. Rowlands; Rakesh Parmar
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.4226 ± 0.0002 Å
• b: 11.4979 ± 0.0002 Å
• c: 14.9892 ± 0.0002 Å
• α: 90°
• β: 95.392 ± 0.001°
• γ: 90°
• Cell volume: 1788.33 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No