Information card for entry 2004456

Structure parameters

• Formula: C17 H18 N4 O3
• Calculated formula: C17 H18 N4 O3
• Title of publication: <i>trans</i>-(3a<i>R</i>)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-<i>a</i>]quinoline-4,4(5<i>H</i>)-dicarbonitrile: Four Independent Molecules in the Unit Cell
• Authors of publication: Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 458 - 460
• a: 14.452 ± 0.003 Å
• b: 13.089 ± 0.003 Å
• c: 17.558 ± 0.003 Å
• α: 90°
• β: 96.01 ± 0.03°
• γ: 90°
• Cell volume: 3303.1 ± 1.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 2.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No