Information card for entry 7223079

Structure parameters

• Formula: C27 H23 N3 O6 S
• Calculated formula: C27 H23 N3 O6 S
• SMILES: S(=O)(=O)(N(CCN1C(=O)c2c(cccc2)C1=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1
• Title of publication: Face-to-Face Stacking in Sulfonamide Based Bis-ethylene Bridged Heteroaromatic Dimers
• Authors of publication: Kumar, Ranjeet; Rai, Sunil Kumar; Singh, Praveen; Gaurav, Archana; Yadav, Pratima; Khanna, Ranjana S.; Gupta, Hariom; Tewari, Ashish Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.8185 ± 0.0017 Å
• b: 7.3892 ± 0.0007 Å
• c: 21.053 ± 0.002 Å
• α: 90°
• β: 92.893 ± 0.01°
• γ: 90°
• Cell volume: 2457.7 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No