Information card for entry 4035739

Structure parameters

• Formula: C22 H17 Cl N2 O4
• Calculated formula: C22 H17 Cl N2 O4
• SMILES: C(=O)([C@@]1([C@@H](c2cc(ccc2)N(=O)=O)O1)Cl)N(Cc1ccccc1)c1ccccc1.C(=O)([C@]1([C@H](c2cc(ccc2)N(=O)=O)O1)Cl)N(Cc1ccccc1)c1ccccc1
• Title of publication: Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.
• Authors of publication: Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 21
• Pages of publication: 13132 - 13145
• a: 9.164 ± 0.002 Å
• b: 10.361 ± 0.003 Å
• c: 10.743 ± 0.003 Å
• α: 72.38 ± 0.003°
• β: 79.695 ± 0.003°
• γ: 89.502 ± 0.003°
• Cell volume: 955.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No