Information card for entry 8100433

Structure parameters

• Formula: C30 H25 N3 O4 S2
• Calculated formula: C30 H25 N3 O4 S2
• SMILES: S(=O)(=O)(Nc1ccc(NC2=CC(=O)C(=CC2=O)Sc2ccccc2)cc1)c1c2cccc(N(C)C)c2ccc1
• Title of publication: Crystal structure of N-(4-(3,6-dioxo-4-phenylsulfanylcyclo-1,4-dienylamino))- 5-dimethylaminonaphtalene-sulfonamide, C~30~H~25~N~3~O~4~S~2~
• Authors of publication: Rubin-Preminger, J. M.; Illos, R. A.; Bittner, S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 441 - 442
• a: 7.031 ± 0.002 Å
• b: 33.122 ± 0.01 Å
• c: 13.149 ± 0.004 Å
• α: 90°
• β: 119.627 ± 0.013°
• γ: 90°
• Cell volume: 2661.8 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No