Information card for entry 7220702

Structure parameters

• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• SMILES: Oc1c(c2c(n(Cc3ccccc3)c(C)c2C(=O)C)c2ccccc12)C#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: 8.2226 ± 0.0007 Å
• b: 9.7911 ± 0.0007 Å
• c: 12.1078 ± 0.0009 Å
• α: 85.263 ± 0.003°
• β: 72.053 ± 0.003°
• γ: 75.796 ± 0.003°
• Cell volume: 898.97 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1936
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No