Information card for entry 7238739

Structure parameters

• Common name: 2,3,4,4a,7,8,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indol-5(13H)-one
• Chemical name: 2,3,4,4a,7,8,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indol-5(13H)-one
• Formula: C18 H20 N2 O
• Calculated formula: C18 H20 N2 O
• Title of publication: Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A
• Authors of publication: Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 33
• Pages of publication: 12665
• a: 12.9129 ± 0.0005 Å
• b: 12.3328 ± 0.0005 Å
• c: 19.1436 ± 0.0009 Å
• α: 90°
• β: 100.509 ± 0.004°
• γ: 90°
• Cell volume: 2997.5 ± 0.2 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: 0.0744
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No