Information card for entry 8100107

Structure parameters

• Formula: C41 H44 N4 O6 S2
• Calculated formula: C41 H44 N4 O6 S2
• SMILES: S(=O)(=O)(Nc1cc(OC)cc2ccc(nc12)CCCCCCCc1nc2c(cc1)cc(OC)cc2NS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Crystal structure of 1,7-{bis[6-methoxy-8-(4-toluene-sulfonamido)quinol- 2-yl]}-heptane, C~41~H~44~N~4~O~6~S~2~
• Authors of publication: Kimber, M. C.; Lincoln, S. F.; Ward, A. D.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 216 - 218
• a: 17.241 ± 0.002 Å
• b: 12.291 ± 0.002 Å
• c: 19.578 ± 0.006 Å
• α: 90°
• β: 111.03 ± 0.02°
• γ: 90°
• Cell volume: 3872 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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