Information card for entry 2216995

Structure parameters

• Chemical name: (1R,4R,5R)-1,3,4-Triphenyl-7-[(<i>R</i>)-1-phenylethyl]-2-oxa-3,7-\ diazaspiro[4.5]decan-10-one
• Formula: C33 H32 N2 O2
• Calculated formula: C33 H32 N2 O2
• SMILES: C1CC(=O)[C@@]2(CN1[C@H](C)c1ccccc1)[C@@H](c1ccccc1)N(c1ccccc1)O[C@@H]2c1ccccc1
• Title of publication: (1<i>R</i>,4<i>R</i>,5<i>R</i>)-1,3,4-Triphenyl-7-[(<i>R</i>)-1-phenylethyl]-2-oxa-3,7-diazaspiro[4.5]decan-10-one
• Authors of publication: A. Malathy; Kumar, R. Suresh; Perumal, S.; J. Suresh; Nilantha Lakshman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o343 - o343
• a: 10.589 ± 0.005 Å
• b: 14.582 ± 0.007 Å
• c: 17.443 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes