Information card for entry 2209844

Structure parameters

• Common name: (2S,3a'R,4'R,5'S,6'R)-4',5'-isoprolidenedioxy-6'-(trityloxymethyl) -2'-oxotetrahydro-1H-spiro[pyrrolidine-2,3'-pyrrolo[1,2-b]isoxazole] -1-carbaldehyde
• Chemical name: (2S,3a'R,4'R,5'S,6'R)-4',5'-Isoprolidenedioxy-6'-(trityloxymethyl)-2'- oxotetrahydro-1<i>H</i>-spiro[pyrrolidine-2,3'- pyrrolo[1,2-<i>b</i>]isoxazole]-1-carbaldehyde
• Formula: C33 H34 N2 O6
• Calculated formula: C33 H34 N2 O6
• SMILES: N1([C@]2(CCC1)C(=O)ON1[C@H]2[C@H]2OC(O[C@H]2[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C)C=O
• Title of publication: (2<i>S</i>,3a'<i>R</i>,4'<i>R</i>,5'<i>S</i>,6'<i>R</i>)-4',5'-Isoprolidenedioxy-6'-(trityloxymethyl)-2'-oxotetrahydro-1<i>H</i>-spiro[pyrrolidine-2,3'-pyrrolo[1,2-<i>b</i>]isoxazole]-1-carbaldehyde
• Authors of publication: Chu-Yi Yu; Ying Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3172 - o3173
• a: 10.0296 ± 0.0014 Å
• b: 12.7262 ± 0.0017 Å
• c: 11.4028 ± 0.0016 Å
• α: 90°
• β: 98.942 ± 0.002°
• γ: 90°
• Cell volume: 1437.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes