Information card for entry 7150157

Structure parameters

• Common name: (8a R,14a R,14b S)-11-(Carboxyethyl)-9,9-dimethyl-5,7,8,8a,9,9a,14a,15- octa-hydro-14H-benzo[g]quinolino-[2,3-a]quinolidine
• Formula: C25 H30 N2 O2
• Calculated formula: C25 H30 N2 O2
• Title of publication: Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.
• Authors of publication: Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 2848 - 2858
• a: 24.525 ± 0.005 Å
• b: 8.188 ± 0.002 Å
• c: 26.609 ± 0.004 Å
• α: 90°
• β: 116.853 ± 0.014°
• γ: 90°
• Cell volume: 4767.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No