Information card for entry 7219449

Structure parameters

• Formula: C22 H16 N O3
• Calculated formula: C22 H19 N O3
• SMILES: O=C1Oc2c(n(Cc3ccccc3)c3c2C(O)CCC3)c2ccccc12
• 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: 13.5527 ± 0.0018 Å
• b: 8.744 ± 0.0012 Å
• c: 14.7881 ± 0.0019 Å
• α: 90°
• β: 104.612 ± 0.004°
• γ: 90°
• Cell volume: 1695.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No