Information card for entry 2006847

Structure parameters

• Chemical name: (3aR, 7aS)-N-Triphenylmethyl-3a,6,7,7a-tetrahydropyrano-[2,3-d]pyrrolid-2-one
• Formula: C26 H25 N O2
• Calculated formula: C26 H25 N O2
• SMILES: N1(C(=O)C[C@H]2OCCC[C@H]12)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one
• Authors of publication: Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1971 - 1973
• a: 9.518 ± 0.002 Å
• b: 14.003 ± 0.002 Å
• c: 14.977 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1996.1 ± 0.6 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: 0.0418
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No