Information card for entry 7220590

Structure parameters

• Formula: C23 H14 Cl N O2
• Calculated formula: C23 H14 Cl N O2
• SMILES: Clc1ccc(c2c3c(nc4ccc(cc24)C)c2c(oc3=O)cccc2)cc1
• Title of publication: Molecular Iodine Catalysed One-Pot Synthesis of Chromeno[4,3-b]quinolin-6-ones under Microwave Irradiation
• Authors of publication: Koneni, Venkata Sashidhara; Palnati, Gopala Reddy; Singh, L. Ravithej; Upadhyay, Amit; Avula, Srinivasa Rao; kumar, Abdhesh; Kant, Ruchir
• Journal of publication: Green Chem.
• Year of publication: 2015
• a: 8.686 ± 0.006 Å
• b: 10.371 ± 0.008 Å
• c: 11.293 ± 0.008 Å
• α: 109.138 ± 0.007°
• β: 111.662 ± 0.009°
• γ: 92.379 ± 0.009°
• Cell volume: 877.8 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0775
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No