Information card for entry 2226081

Structure parameters

• Chemical name: Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c- octahydronaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate
• Formula: C26 H25 N O3
• Calculated formula: C26 H25 N O3
• SMILES: O1c2ccc3ccccc3c2[C@@H]2[C@](C1)([C@@H]([C@H]1N2CCC1)c1ccccc1)C(=O)OC.O1c2ccc3ccccc3c2[C@H]2[C@@](C1)([C@H]([C@@H]1N2CCC1)c1ccccc1)C(=O)OC
• Title of publication: Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c-octahydronaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1345
• a: 15.0117 ± 0.0012 Å
• b: 13.3421 ± 0.0011 Å
• c: 20.0242 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4010.6 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes