Information card for entry 2205793

Structure parameters

• Chemical name: 4-(4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro furo[3,2-c]quinoline
• Formula: C17 H16 N2 O3
• Calculated formula: C17 H16 N2 O3
• SMILES: O1[C@H]2c3ccccc3N[C@@H]([C@H]2CC1)c1ccc(N(=O)=O)cc1.O1[C@@H]2c3ccccc3N[C@H]([C@@H]2CC1)c1ccc(N(=O)=O)cc1
• Title of publication: 4-(4-Nitrophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-<i>c</i>]quinoline
• Authors of publication: K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1419 - o1421
• a: 9.109 ± 0.001 Å
• b: 9.2626 ± 0.001 Å
• c: 9.7553 ± 0.0011 Å
• α: 103.411 ± 0.002°
• β: 102.791 ± 0.002°
• γ: 107.081 ± 0.002°
• Cell volume: 727.28 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes