Information card for entry 7225441

Structure parameters

• Formula: C23 H21 N2 O2 S
• Calculated formula: C25 H22 N2 O3 S
• SMILES: c1ccc(c2[nH]c3c(c2Nc2ccccc2)C(=O)Oc2c3cccc2)cc1.S(=O)(C)C
• Title of publication: Facile and eco-friendly synthesis of chromeno[4,3-b]pyrrol-4(1H)-one derivatives applying magnetically recoverable nano crystalline CuFe2O4 involving a domino three-component reaction in aqueous media
• Authors of publication: Das, Asish R.; Saha, Moumita; Pradhan, Koyel
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.9365 ± 0.0007 Å
• b: 10.9597 ± 0.0009 Å
• c: 11.7375 ± 0.0009 Å
• α: 100.397 ± 0.002°
• β: 92.839 ± 0.002°
• γ: 105.871 ± 0.002°
• Cell volume: 1081.65 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2291
• Residual factor for significantly intense reflections: 0.1963
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 4.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No