Information card for entry 2006323

Structure parameters

• Chemical name: 6,7-dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline
• Formula: C22 H23.26 N3 O1.13
• Calculated formula: C22 H23.2867 N3 O1.14333
• Title of publication: Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate
• Authors of publication: Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 987 - 990
• a: 15.0089 ± 0.0014 Å
• b: 16.952 ± 0.002 Å
• c: 22.124 ± 0.002 Å
• α: 90°
• β: 96.172 ± 0.006°
• γ: 90°
• Cell volume: 5596.4 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1875
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.1628
• Weighted residual factors for significantly intense reflections: 0.1143
• Goodness-of-fit parameter for all reflections: 0.934
• Goodness-of-fit parameter for significantly intense reflections: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No