Information card for entry 4100562

Structure parameters

• Formula: C27 H29 Br Cl N O3 S2
• Calculated formula: C27 H29 Br Cl N O3 S2
• SMILES: Brc1ccc([C@@](Sc2c(Cl)cccc2)(C(=O)N2S(=O)(=O)C[C@@]34[C@H]2C[C@@H](CC3)C4(C)C)CC=C)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.7184 ± 0.0013 Å
• b: 17.702 ± 0.004 Å
• c: 22.591 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No