Information card for entry 2000011

Structure parameters

• Formula: C17 H18 O3 S
• Calculated formula: C17 H18 O3 S
• Title of publication: Structure determination of (1S;S~s~)-3-methoxy-1-phenyl-2-(p-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S)
• Authors of publication: Retoux, R.; Guillot, C.; Maignan, C.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 629 - 630
• a: 7.0123 ± 0.0005 Å
• b: 7.5297 ± 0.0009 Å
• c: 29.094 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.18 ų
• 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: 0.028
• Weighted residual factors for significantly intense reflections: 0.028
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No