Information card for entry 7100640

Structure parameters

• Formula: C15 H10 O2 S
• Calculated formula: C15 H10 O2 S
• SMILES: S=c1c2c(oc(c3ccccc3)c1O)cccc2
• Authors of publication: B.L. Tran; Seth M. Cohen
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 22.269 ± 0.004 Å
• b: 3.8534 ± 0.0007 Å
• c: 26.754 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2295.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No