Information card for entry 7051632

Structure parameters

• Formula: C27 H28 N4 O5 S
• Calculated formula: C27 H24 N4 O5 S
• SMILES: S(=O)(=O)(Nc1ccc(cc1)C(=O)N/N=C/c1ccccc1O)c1c2cccc(N(C)C)c2ccc1.CO
• Title of publication: Dansyl-based fluorescent chemosensors for selective responses of Cr(iii)
• Authors of publication: Wu, Hongmei; Zhou, Peng; Wang, Jian; Zhao, Liang; Duan, Chunying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 653
• a: 10.1434 ± 0.0018 Å
• b: 10.1853 ± 0.0019 Å
• c: 14.427 ± 0.003 Å
• α: 94.337 ± 0.009°
• β: 108.283 ± 0.008°
• γ: 111.195 ± 0.008°
• Cell volume: 1289.1 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No