Information card for entry 2232783

Structure parameters

• Chemical name: (1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one
• Formula: C32 H23 Cl N2 O4
• Calculated formula: C32 H23 Cl N2 O4
• SMILES: CN1[C@@]2([C@@H](C(=O)c3c(=O)[nH]c4c(c3O)cccc4)[C@H](c3ccc(Cl)cc3)C1)C(=O)c1c3c2cccc3ccc1.CN1[C@]2([C@H](C(=O)c3c(=O)[nH]c4c(c3O)cccc4)[C@@H](c3ccc(Cl)cc3)C1)C(=O)c1c3c2cccc3ccc1
• Title of publication: (1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one
• Authors of publication: Vennila, K. N.; Sankaran, M.; Mohan, P. S.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3376 - o3377
• a: 10.7447 ± 0.0007 Å
• b: 14.1678 ± 0.0009 Å
• c: 18.3858 ± 0.0011 Å
• α: 101.328 ± 0.003°
• β: 91.945 ± 0.003°
• γ: 105.388 ± 0.003°
• Cell volume: 2635 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes