Information card for entry 7219450

Structure parameters

• Formula: C24 H21 N O4 S
• Calculated formula: C24 H21 N O4 S
• SMILES: S(=O)(C)C.O1C(=O)c2c(c3n(c4ccc(cc4)C)c4c(c(O)ccc4)c13)cccc2
• Title of publication: Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions
• Authors of publication: Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.8359 ± 0.0007 Å
• b: 9.899 ± 0.0007 Å
• c: 11.8318 ± 0.0008 Å
• α: 98.474 ± 0.002°
• β: 91.399 ± 0.002°
• γ: 112.007 ± 0.002°
• Cell volume: 1052.42 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No