Information card for entry 4061698

Structure parameters

• Formula: C32 H36 O3 S
• Calculated formula: C32 H36 O3 S
• SMILES: OC(CSCC(O)(c1ccc(cc1)C)c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.O
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 13.0192 ± 0.0011 Å
• b: 12.2471 ± 0.001 Å
• c: 17.7002 ± 0.0015 Å
• α: 90°
• β: 99.614 ± 0.002°
• γ: 90°
• Cell volume: 2782.6 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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