Information card for entry 2223814

Structure parameters

• Chemical name: 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b- decahydropyrrolo[3,4-<i>c</i>]pyrano[6,5-<i>d</i>]pyrimidine-7,9-dione
• Formula: C31 H31 N3 O5 S
• Calculated formula: C31 H31 N3 O5 S
• Title of publication: 1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-decahydropyrrolo[3,4-<i>c</i>]pyrano[6,5-<i>d</i>]pyrimidine-7,9-dione
• Authors of publication: Chinnakali, K.; Sudha, D.; Jayagobi, M.; Raghunathan, R.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2907 - o2908
• a: 13.2778 ± 0.0002 Å
• b: 15.8888 ± 0.0002 Å
• c: 13.0886 ± 0.0002 Å
• α: 90°
• β: 99.019 ± 0.001°
• γ: 90°
• Cell volume: 2727.14 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes