Information card for entry 7157315

Structure parameters

• Chemical name: 4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE
• Formula: C17 H10 Cl I N2 O3 S0
• Calculated formula: C17 H10 Cl I N2 O3
• Title of publication: Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.
• Authors of publication: Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1155 - 1164
• a: 18.4757 ± 0.0012 Å
• b: 9.7925 ± 0.0005 Å
• c: 18.6956 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No