Information card for entry 4100945

Structure parameters

• Formula: C38 H36 Cl4 N2 O6 S2
• Calculated formula: C38 H36 Cl4 N2 O6 S2
• SMILES: O=S(=O)(c1ccc(cc1)C)N1CC(=CC1)C#CC1=C(COC1)C#CC1=C(C#CC2=CCN(C2)S(=O)(=O)c2ccc(cc2)C)COC1.ClCCl.C(Cl)Cl
• Authors of publication: Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.2717 ± 0.0011 Å
• b: 9.5873 ± 0.0017 Å
• c: 16.319 ± 0.003 Å
• α: 95.316 ± 0.002°
• β: 97.598 ± 0.002°
• γ: 96.233 ± 0.002°
• Cell volume: 961.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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