Information card for entry 1572390

Structure parameters

• Formula: C22 H19 N O3
• Calculated formula: C22 H19 N O3
• SMILES: c12ccccc1C(=O)C(=C\C=C\1C(c3ccccc3N1C)(C)C)\C(=O)O2
• Title of publication: A dual state emission luminogen based on the 1,3,3-trimethylindoline and chroman-2,4-dione conjugate for highly selective dual channel detection of cyanide ions
• Authors of publication: Khatua, Snehadrinarayan; Patra, Sumit Kumar; Rabha, Monosh; Lyngdoh Lyngkhoi, Deikrisha; Gogoi, Jogat; Sen, Bhaskar
• Journal of publication: Sensors & Diagnostics
• Year of publication: 2024
• a: 8.3545 ± 0.0004 Å
• b: 10.511 ± 0.0006 Å
• c: 11.3187 ± 0.0006 Å
• α: 103.653 ± 0.002°
• β: 95.545 ± 0.002°
• γ: 111.128 ± 0.002°
• Cell volume: 882.64 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No