Information card for entry 4100563

Structure parameters

• Formula: C22 H28 Cl N O3 S2
• Calculated formula: C22 H28 Cl N O3 S2
• SMILES: Clc1c(S[C@](C(=O)N2S(=O)(=O)C[C@@]34[C@H]2C[C@@H](CC3)C4(C)C)(CC=C)C)cccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 34.764 ± 0.007 Å
• b: 7.7896 ± 0.0016 Å
• c: 8.8527 ± 0.0018 Å
• α: 90°
• β: 101.6 ± 0.03°
• γ: 90°
• Cell volume: 2348.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No