Information card for entry 2206929

Structure parameters

• Chemical name: Methyl 11,2,3,3a-5a-hydroxy-1-methyl-10-oxo-4-phenyl 10H-indeno[1,2-b]furo[3,4-b]pyrrole-3a-carboxylate
• Formula: C22 H21 N O5
• Calculated formula: C22 H21 N O5
• SMILES: N1([C@@]23[C@](CC1)([C@@H](O[C@@]3(O)c1c(C2=O)cccc1)c1ccccc1)C(=O)OC)C.N1([C@]23[C@@](CC1)([C@H](O[C@]3(O)c1c(C2=O)cccc1)c1ccccc1)C(=O)OC)C
• Title of publication: Methyl 11,2,3,3a-5a-hydroxy-1-methyl-10-oxo-4-phenyl 10<i>H</i>-indeno[1,2-<i>b</i>]furo[3,4-<i>b</i>]pyrrole-3a-carboxylate
• Authors of publication: S. Selvanayagam; Anju Joy; D. Velmurugan; K. Ravikumar; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3383 - o3385
• a: 8.6216 ± 0.0005 Å
• b: 10.3055 ± 0.0006 Å
• c: 11.7758 ± 0.0006 Å
• α: 79.462 ± 0.001°
• β: 79.377 ± 0.001°
• γ: 68.876 ± 0.001°
• Cell volume: 951.48 ± 0.09 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: 0.048
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes