Information card for entry 4034032

Structure parameters

• Formula: C22 H22 N2 O3
• Calculated formula: C22 H22 N2 O3
• SMILES: O(C(=O)c1c2c(nccc2)c(NC(=O)c2ccccc2C)cc1)C(C)(C)C
• Title of publication: Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.
• Authors of publication: Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 16
• Pages of publication: 9869 - 9896
• a: 7.2298 ± 0.0008 Å
• b: 8.3505 ± 0.0009 Å
• c: 16.1942 ± 0.0018 Å
• α: 100.223 ± 0.002°
• β: 97.236 ± 0.002°
• γ: 100.386 ± 0.002°
• Cell volume: 933.71 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No