Information card for entry 7219448

Structure parameters

• Formula: C28 H24 N2 O3
• Calculated formula: C28.5714 H23.4286 N1.71429 O3.42857
• SMILES: c12c3ccccc3C(=O)Oc1c1C(=O)CCCc1n2Cc1ccccc1.Nc1ccccc1.c12c3ccccc3C(=O)Oc1c1C(=O)CCCc1n2Cc1ccccc1
• 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: 20.4475 ± 0.0013 Å
• b: 14.4995 ± 0.001 Å
• c: 13.927 ± 0.0009 Å
• α: 90°
• β: 106.072 ± 0.002°
• γ: 90°
• Cell volume: 3967.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No