Information card for entry 2007566

Structure parameters

• Chemical name: 7-(4-methyl-1-piperazinyl)-6H-[1]benzopyrano[3,4-c]quinoline
• Formula: C21 H21 N3 O
• Calculated formula: C21 H21 N3 O
• SMILES: O1Cc2c(nc3c(c2c2c1cccc2)cccc3)N1CCN(CC1)C
• Title of publication: Characterization of Quinoline Derivatives. II. 7-(4-Methyl-1-piperazinyl)-6<i>H</i>-[1]benzopyrano[3,4-<i>c</i>]quinoline
• Authors of publication: Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1127 - 1130
• a: 12.415 ± 0.002 Å
• b: 10.806 ± 0.002 Å
• c: 13.253 ± 0.003 Å
• α: 90°
• β: 102.83 ± 0.03°
• γ: 90°
• Cell volume: 1733.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No