Information card for entry 7100641

Structure parameters

• Formula: C30 H18 Cu O4 S2
• Calculated formula: C30 H18 Cu O4 S2
• SMILES: [Cu]12([S]=C3c4c(cccc4)OC(=C3O2)c2ccccc2)[S]=C2C(=C(Oc3c2cccc3)c2ccccc2)O1
• Authors of publication: B.L. Tran; Seth M. Cohen
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 13.6476 ± 0.0017 Å
• b: 9.8509 ± 0.0012 Å
• c: 17.256 ± 0.002 Å
• α: 90°
• β: 92.097 ± 0.001°
• γ: 90°
• Cell volume: 2318.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No