Information card for entry 2226631

Structure parameters

• Chemical name: 5-Phenyl-3,4,4a,5,6,12c-hexahydro-2<i>H</i>-benzo[<i>f</i>]pyrano[3,2- <i>c</i>]quinoline
• Formula: C22 H21 N O
• Calculated formula: C22 H21 N O
• SMILES: c12c3c(ccc1N[C@@H]([C@@H]1[C@H]2OCCC1)c1ccccc1)cccc3.c12c3c(ccc1N[C@H]([C@H]1[C@@H]2OCCC1)c1ccccc1)cccc3
• Title of publication: 5-Phenyl-3,4,4a,5,6,12c-hexahydro-2<i>H</i>-benzo[<i>f</i>]pyrano[3,2-<i>c</i>]quinoline
• Authors of publication: Du, Bai-Xiang; Zhou, Jie; Li, Yu-Ling; Wang, Xiang-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1622
• a: 8.1106 ± 0.0002 Å
• b: 10.956 ± 0.0002 Å
• c: 18.502 ± 0.0003 Å
• α: 90°
• β: 93.552 ± 0.001°
• γ: 90°
• Cell volume: 1640.92 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes