Information card for entry 2009338

Structure parameters

• Formula: C30 H23 N3 O4
• Calculated formula: C30 H23 N3 O4
• SMILES: O1N=C([C@@H]([C@@]21N(Cc1ccccc1C2=O)c1ccccc1)c1ccc(C)cc1)c1ccc(N(=O)=O)cc1.O1N=C([C@H]([C@]21N(Cc1ccccc1C2=O)c1ccccc1)c1ccc(C)cc1)c1ccc(N(=O)=O)cc1
• Title of publication: 3'-(<i>p</i>-Nitrophenyl)-2-phenyl-4'-(<i>p</i>-tolyl)spiro[isoquinoline-3(2<i>H</i>),5'(4'<i>H</i>)-isoxazolin]-4(1<i>H</i>)-one
• Authors of publication: Badri, Rahima; Kerbal, Abdelali; Najib, Bitit; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: IUC9900165
• a: 11.333 ± 0.002 Å
• b: 16.949 ± 0.003 Å
• c: 13.344 ± 0.002 Å
• α: 90°
• β: 108.17 ± 0.01°
• γ: 90°
• Cell volume: 2435.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes