Information card for entry 7220703

Structure parameters

• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: O=C(c1c2c(n(C3CC3)c1C)c1ccccc1c(O)c2C#N)C
• 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: 9.4136 ± 0.0007 Å
• b: 9.9725 ± 0.0007 Å
• c: 10.1281 ± 0.0013 Å
• α: 111.742 ± 0.003°
• β: 96.696 ± 0.003°
• γ: 116.846 ± 0.002°
• Cell volume: 740.3 ± 0.13 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: 0.0737
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No