Information card for entry 2221743

Structure parameters

• Chemical name: Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b- hexahydrobenzo[<i>f</i>]chromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate
• Formula: C24 H23 N O3
• Calculated formula: C24 H23 N O3
• SMILES: O1c2c([C@@H]3N(C)C[C@@H]([C@@]3(C1)C(=O)OC)c1ccccc1)c1ccccc1cc2.O1c2c([C@H]3N(C)C[C@H]([C@]3(C1)C(=O)OC)c1ccccc1)c1ccccc1cc2
• Title of publication: Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b-hexahydrobenzo[<i>f</i>]chromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate
• Authors of publication: Gunasekaran, B.; Kathiravan, S.; Raghunathan, R.; Renuga, V.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1033
• a: 13.2332 ± 0.0006 Å
• b: 10.3574 ± 0.0004 Å
• c: 15.0865 ± 0.0006 Å
• α: 90°
• β: 111.53 ± 0.002°
• γ: 90°
• Cell volume: 1923.5 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes