Information card for entry 2231475

Structure parameters

• Chemical name: (2<i>RS</i>,4'<i>RS</i>)-3'-(3-Chloro-4-methoxyphenyl)-4'-phenyl-4'<i>H</i>- spiro[indene-2,5'-isoxazol]-1(3<i>H</i>)-one ethanol monosolvate
• Formula: C25 H23 Cl N2 O4
• Calculated formula: C25 H23 Cl N2 O4
• SMILES: c12ccccc1N[C@]1([C@@H](c3ccccc3)C(c3ccc(c(c3)Cl)OC)=NO1)C2=O.C(C)O
• Title of publication: (2<i>RS</i>,4'<i>RS</i>)-3'-(3-Chloro-4-methoxyphenyl)-4'-phenyl-4'<i>H</i>-spiro[indene-2,5'-isoxazol]-1(3<i>H</i>)-one ethanol monosolvate
• Authors of publication: Boughaleb, Adil; Zouihri, Hafid; Gmouh, Said; Kerbal, Abdelali; El yazidi, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2434
• a: 8.7112 ± 0.0002 Å
• b: 11.3051 ± 0.0002 Å
• c: 22.5913 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2224.81 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101 kPa
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes