Information card for entry 1100590

Structure parameters

• Formula: C30 H36 O S
• Calculated formula: C30 H36 O S
• SMILES: S([C@H]([C@H](O)c1ccccc1)[C@@H]1[C@](CCC1)(c1ccccc1)C)c1c(c(cc(c1C)C)C)C.S([C@@H]([C@@H](O)c1ccccc1)[C@H]1[C@@](CCC1)(c1ccccc1)C)c1c(c(cc(c1C)C)C)C
• Title of publication: Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides
• Authors of publication: Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 183 - 192
• a: 10.621 ± 0.001 Å
• b: 10.918 ± 0.001 Å
• c: 11.842 ± 0.001 Å
• α: 77.56 ± 0.01°
• β: 67.2 ± 0.01°
• γ: 81.25 ± 0.01°
• Cell volume: 1232.58 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No