Information card for entry 2222583

Structure parameters

• Chemical name: Methyl 1,2,3,4,4a,5,5a,13c-octahydro-5-phenyl-6<i>H</i>- benz[<i>f</i>]chromeno[3,4-<i>b</i>]indolizine-5a-carboxylate
• Formula: C27 H27 N O3
• Calculated formula: C27 H27 N O3
• SMILES: C1CCC[C@H]2[C@H]([C@@]3([C@@H](c4c5ccccc5ccc4OC3)N12)C(=O)OC)c1ccccc1.C1CCC[C@@H]2[C@@H]([C@]3([C@H](c4c5ccccc5ccc4OC3)N12)C(=O)OC)c1ccccc1
• Title of publication: Methyl 5-phenyl-1,2,3,4,4a,5,5a,13c-octahydro-6<i>H</i>-benzo[<i>f</i>]chromeno[3,4-<i>b</i>]indolizine-5a-carboxylate
• Authors of publication: Kamala, E. Theboral Sugi; Nirmala, S.; Sudha, L.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1923 - o1924
• a: 9.4201 ± 0.0003 Å
• b: 10.6752 ± 0.0003 Å
• c: 11.0761 ± 0.0003 Å
• α: 78.262 ± 0.002°
• β: 77.911 ± 0.002°
• γ: 87.346 ± 0.002°
• Cell volume: 1066.34 ± 0.05 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: 0.0624
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes