Information card for entry 2225192

Structure parameters

• Formula: C37 H35 N3 O6
• Calculated formula: C37 H35 N3 O6
• Title of publication: Ethyl 3-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-2-nitro-1-phenyl-2,3,10,10a-tetrahydro-1<i>H</i>,5<i>H</i>-pyrrolo[1,2-<i>b</i>]isoquinoline-10a-carboxylate
• Authors of publication: Sundaresan, S. S.; Ramesh, P.; Arumugam, N.; Raghunathan, R.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o646
• a: 9.3039 ± 0.0003 Å
• b: 13.0725 ± 0.0003 Å
• c: 13.8814 ± 0.0003 Å
• α: 87.504 ± 0.001°
• β: 74.123 ± 0.001°
• γ: 74.926 ± 0.001°
• Cell volume: 1567.35 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes