Information card for entry 4100234

Structure parameters

• Formula: C23 H23 N O4 S
• Calculated formula: C23 H23 N O4 S
• SMILES: N1(CC2=CC(=C(C[C@@H]2C1)c1ccccc1)C(=O)OC)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates
• Authors of publication: Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.9212 ± 0.001 Å
• b: 5.3916 ± 0.0005 Å
• c: 17.0437 ± 0.0016 Å
• α: 90°
• β: 90.27 ± 0.003°
• γ: 90°
• Cell volume: 1003.57 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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