Information card for entry 7218591

Structure parameters

• Formula: C29 H22 N4 O9 S
• Calculated formula: C29 H22 N4 O9 S
• SMILES: S(=O)(=O)(Oc1cc(N2C(=O)c3c4c(c(N5CCCCC5)cc3)cccc4C2=O)ccc1)c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: Structural imposition on off-on response of naphthalimide based probes for selective thiophenol sensing
• Authors of publication: Kand, Dnyaneshwar; Mandal, Prashant Sahebrao; Saha, Tanmoy; Talukdar, Pinaki
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.845 ± 0.003 Å
• b: 10.397 ± 0.003 Å
• c: 12.979 ± 0.003 Å
• α: 86.88 ± 0.007°
• β: 81.723 ± 0.007°
• γ: 84.775 ± 0.007°
• Cell volume: 1308.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No