Information card for entry 7059929

Structure parameters

• Formula: C24 H18 N2 O4
• Calculated formula: C24 H18 N2 O4
• SMILES: n1(c(c2cccc(c2)N(=O)=O)c(C=O)cc1c1ccccc1)c1ccc(cc1)OC
• Title of publication: Sequential multicomponent catalytic synthesis of pyrrole-3-carboxaldehydes: evaluation of antibacterial and antifungal activities along with docking studies
• Authors of publication: Mir, Nisar A.; Ramaraju, Panduga; Vanaparthi, Satheeshvarma; Choudhary, Sachin; Singh, Rajnish P.; Sharma, Preetika; Kant, Rajni; Singh, Rajpal; Sankaranarayanan, Murugesan; Kumar, Indresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16329 - 16339
• a: 23.3836 ± 0.0015 Å
• b: 7.8481 ± 0.0005 Å
• c: 24.1515 ± 0.0017 Å
• α: 90°
• β: 115.063 ± 0.008°
• γ: 90°
• Cell volume: 4014.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No