Information card for entry 2233671

Structure parameters

• Chemical name: Ethyl 4-cyano-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-<i>a</i>]quinoline-4- carboxylate
• Formula: C16 H17 N3 O4
• Calculated formula: C16 H17 N3 O4
• Title of publication: Ethyl 4-cyano-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-<i>a</i>]quinoline-4-carboxylate
• Authors of publication: Bibila Mayaya Bisseyou, Yvon; Timotou, Adéyolé; Adjou, Ajouby; Kakou-Yao, Rita; Tenon Abodou, Jules
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o550 - o551
• a: 7.2292 ± 0.0002 Å
• b: 9.1589 ± 0.0003 Å
• c: 11.8243 ± 0.0005 Å
• α: 79.332 ± 0.001°
• β: 82.609 ± 0.001°
• γ: 80.429 ± 0.002°
• Cell volume: 754.79 ± 0.05 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes