Information card for entry 2218790

Structure parameters

• Chemical name: 2-(4,5,6,7,8,9-Hexahydro-6a-azaphenylen-2-ylmethylene)indan-1,3-dione
• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• Title of publication: 2-(4,5,6,7,8,9-Hexahydro-6a-azaphenylen-2-ylmethylene)indan-1,3-dione
• Authors of publication: Belyakov, Sergey; Kampars, Valdis; Pastors, Pauls J.; Tokmakov, Andrey
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1200
• a: 8.5125 ± 0.0002 Å
• b: 19.2973 ± 0.0005 Å
• c: 10.4969 ± 0.0003 Å
• α: 90°
• β: 109.53 ± 0.001°
• γ: 90°
• Cell volume: 1625.1 ± 0.07 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: 0.0718
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes