Information card for entry 7227683

Structure parameters

• Formula: C24 H21 N3 O
• Calculated formula: C24 H21 N3 O
• SMILES: n1(nc(c(c1)CNc1c(cccc1)C(=O)C)c1ccccc1)c1ccccc1
• Title of publication: Efficient synthesis of novel N-substituted 2-carboxy-4-quinolones via lithium bis(trimethylsilyl)amide (LiHMDS)-induced in situ cyclocondensation reaction
• Authors of publication: Hasan, Phool; Aneja, Babita; Masood, Mir M.; Ahmad, Md. Belal; Yadava, Umesh; Daniliuc, Constantin G.; Abid, Mohammad
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 11367
• a: 8.501 ± 0.0004 Å
• b: 8.6149 ± 0.0004 Å
• c: 13.9713 ± 0.0006 Å
• α: 91.269 ± 0.002°
• β: 94.756 ± 0.002°
• γ: 114.531 ± 0.002°
• Cell volume: 925.82 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No