Information card for entry 7220705

Structure parameters

• Formula: C23 H20 N2 O3
• Calculated formula: C23 H19 N2 O3
• SMILES: O(CC)C(=O)c1c2c(n(c1C)c1ccccc1)c1ccccc1c(O)c2C#N
• Title of publication: Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions
• Authors of publication: Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.152 ± 0.0011 Å
• b: 14.8788 ± 0.0012 Å
• c: 19.129 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3743.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No