Information card for entry 2217741

Structure parameters

• Chemical name: (3<i>R</i>*,4<i>R</i>*,5S*)-4-(4-Methylphenyl)-2,3-diphenyl-7- [(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one oxime
• Formula: C34 H35 N3 O2
• Calculated formula: C34 H35 N3 O2
• SMILES: C1CC([C@@]2(CN1[C@H](C)c1ccccc1)[C@@H]([C@@H](c1ccccc1)N(c1ccccc1)O2)c1ccc(cc1)C)=NO
• Title of publication: (3<i>R</i>*,4<i>R</i>*,5<i>S</i>*)-4-(4-Methylphenyl)-2,3-diphenyl-7-[(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one oxime
• Authors of publication: Begum, G. Chanthini; Kumar, R. Suresh; Suresh, J.; Gopinathan, C.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o590
• a: 10.448 ± 0.007 Å
• b: 10.588 ± 0.009 Å
• c: 26.49 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2930 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2172
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes