Information card for entry 7127572

Structure parameters

• Formula: C20 H18 N2 O3
• Calculated formula: C20 H18 N2 O3
• SMILES: COc1ccc(n2cc(C3(O)C(=O)N(c4ccccc34)C)cc2)cc1
• Title of publication: Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction.
• Authors of publication: Pawar, Amol Prakash; Yadav, Jyothi; Mir, Nisar Ahmad; Iype, Eldhose; Rangan, Krishnan; Anthal, Sumati; Kant, Rajni; Kumar, Indresh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 251 - 254
• a: 8.5337 ± 0.0013 Å
• b: 10.2008 ± 0.0013 Å
• c: 11.672 ± 0.002 Å
• α: 90.88 ± 0.014°
• β: 110.076 ± 0.016°
• γ: 114.477 ± 0.014°
• Cell volume: 853.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1945
• Residual factor for significantly intense reflections: 0.1639
• Weighted residual factors for significantly intense reflections: 0.4595
• Weighted residual factors for all reflections included in the refinement: 0.4779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No