Information card for entry 7151352

Structure parameters

• Common name: 6f in paper
• Formula: C25 H28 N2 O2 S
• Calculated formula: C29 H26.815 N2 O2 S
• Title of publication: A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.
• Authors of publication: Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 24
• Pages of publication: 4382 - 4391
• a: 8.6239 ± 0.0001 Å
• b: 22.0514 ± 0.0004 Å
• c: 13.2225 ± 0.0001 Å
• α: 90°
• β: 100.164 ± 0.001°
• γ: 90°
• Cell volume: 2475.05 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No