Information card for entry 2213899

Structure parameters

• Chemical name: 6-Fluoro-4-methyl-2-(3-pyridyl)-1,2,3,4-tetrahydroquinoline
• Formula: C15 H15 F N2
• Calculated formula: C15 H15 F N2
• SMILES: Fc1cc2[C@H](C[C@H](Nc2cc1)c1cnccc1)C.Fc1cc2[C@@H](C[C@@H](Nc2cc1)c1cnccc1)C
• Title of publication: 6-Fluoro-4-methyl-2-(3-pyridyl)-1,2,3,4-tetrahydroquinoline
• Authors of publication: Vizcaya, Luis A.; Mora, Asiloé J.; Vargas, Leonor Y.; Kouznetsov, Vladimir V.; Bahsas, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2914 - o2914
• a: 16.2219 ± 0.0007 Å
• b: 8.5208 ± 0.0002 Å
• c: 18.1612 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2510.31 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.50915 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes