Information card for entry 7238566

Structure parameters

• Common name: naphtho isoquinoline
• Chemical name: 6-(4-benzyl-piperazin-1-yl)-2-ethyl-1,2,3,4,7,8- hexahydro-naphtho[2,1-h]isoquinoline-5-carbonitrile
• Formula: C26 H31 N3
• Calculated formula: C26 H31 N3
• Title of publication: Naphtho[2,1-h]isoquinolines: a new class of partially reduced polycyclic aromatic nucleus
• Authors of publication: Pratap, Ramendra; Raghunandan, Resmi; Maulik, P. R.; Ji Ram, Vishnu
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 1299
• a: 10.952 ± 0.002 Å
• b: 11.761 ± 0.0001 Å
• c: 17.935 ± 0.004 Å
• α: 90°
• β: 105.09 ± 0.001°
• γ: 90°
• Cell volume: 2230.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1659
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No