Information card for entry 2222375

Structure parameters

• Chemical name: 6-Phenyl-5a,6,6a,7,12,13a-hexahydro-5<i>H</i>-benzo[6,7]indolizino[3,2- <i>a</i>]pyrrolizine
• Formula: C23 H22 N2
• Calculated formula: C23 H22 N2
• SMILES: N12[C@@H](Cc3c(C1)cccc3)[C@H]([C@H]1[C@@H]2c2n(ccc2)C1)c1ccccc1.N12[C@H](Cc3c(C1)cccc3)[C@@H]([C@@H]1[C@H]2c2n(ccc2)C1)c1ccccc1
• Title of publication: 6-Phenyl-5a,6,6a,7,12,13a-hexahydro-5<i>H</i>-benzo[6,7]indolizino[3,2-<i>a</i>]pyrrolizine
• 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: 7
• Pages of publication: o1454
• a: 14.0694 ± 0.0014 Å
• b: 5.93 ± 0.0005 Å
• c: 21.177 ± 0.002 Å
• α: 90°
• β: 104.563 ± 0.003°
• γ: 90°
• Cell volume: 1710.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes