Information card for entry 2211960

Structure parameters

• Chemical name: 5-Methyl-5bβ,6,7,8,9,11aα-hexahydro-5H-indolizino[1,2-b]indol-11(5aαH)-one
• Formula: C15 H18 N2 O
• Calculated formula: C15 H18 N2 O
• SMILES: O=C1N2CCCC[C@@H]2[C@H]2N(c3c([C@@H]12)cccc3)C.O=C1N2CCCC[C@H]2[C@@H]2N(c3c([C@H]12)cccc3)C
• Title of publication: 5-Methyl-5bβ,6,7,8,9,11aα-hexahydro-5<i>H</i>-indolizino[1,2-<i>b</i>]indol-11(5aα<i>H</i>)-one
• Authors of publication: Badenock, Jeanese C.; Fraser, Heidi L.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o349 - o350
• a: 8.008 ± 0.002 Å
• b: 17.862 ± 0.004 Å
• c: 8.888 ± 0.003 Å
• α: 90°
• β: 94.53 ± 0.03°
• γ: 90°
• Cell volume: 1267.4 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.25
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes