Information card for entry 2003234

Structure parameters

• Chemical name: 6-ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1H,5H- benzo[i,j]quinolizine-2-carboxylic acid
• Formula: C21 H25 F N2 O4
• Calculated formula: C21 H25 F N2 O4
• SMILES: Fc1cc2c(=O)c(cn3c2c(c1N1CCC(O)CC1)C[C@@H]([C@@H]3C)CC)C(=O)O.Fc1cc2c(=O)c(cn3c2c(c1N1CCC(O)CC1)C[C@H]([C@H]3C)CC)C(=O)O
• Title of publication: 6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid
• Authors of publication: Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 519 - 521
• a: 15.387 ± 0.002 Å
• b: 7.705 ± 0.002 Å
• c: 16.013 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1898.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No