Information card for entry 2009225

Structure parameters

• Chemical name: N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline
• Formula: C16 H15 F N2 O3
• Calculated formula: C16 H15 F N2 O3
• Title of publication: 2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline
• Authors of publication: Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2163 - 2167
• a: 13.534 ± 0.003 Å
• b: 7.0535 ± 0.0014 Å
• c: 29.526 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2818.6 ± 1.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No