Information card for entry 4100660

Structure parameters

• Formula: C27 H32 N2 O3 S
• Calculated formula: C27 H32 N2 O3 S
• SMILES: S(=O)(=O)(/N=C(N(C(C)C)C(C)C)\Cc1ccc(Oc2ccccc2)cc1)c1ccc(C)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 14.971 ± 0.005 Å
• b: 8.349 ± 0.003 Å
• c: 21.008 ± 0.007 Å
• α: 90°
• β: 98.835 ± 0.007°
• γ: 90°
• Cell volume: 2594.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No