Information card for entry 2200481

Structure parameters

• Chemical name: 10-fluoro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline
• Formula: C18 H14 F N
• Calculated formula: C18 H14 F N
• SMILES: n1c2ccc(F)cc2cc2CCCc3ccccc3c12
• Title of publication: 10-Fluoro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; Dipanjan Pan; Jayanta Kumar Ray
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o844 - o845
• a: 8.4871 ± 0.0002 Å
• b: 10.0561 ± 0.0002 Å
• c: 16.0181 ± 0.0001 Å
• α: 90°
• β: 96.536 ± 0.001°
• γ: 90°
• Cell volume: 1358.21 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes