Information card for entry 7160283

Structure parameters

• Formula: C29 H17 N S
• Calculated formula: C29 H17 N S
• Title of publication: Synthesis and properties of thienonaphtho[<i>bc</i>]pyridines and thienonaphtho[<i>bc</i>]quinolines.
• Authors of publication: Vardanyan, Arpine; Polkaehn, Jonas; Bauder, Marie-Louis; Villinger, Alexander; Ehlers, Peter; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 43
• Pages of publication: 8631 - 8648
• a: 8.0321 ± 0.0004 Å
• b: 10.356 ± 0.0005 Å
• c: 13.1722 ± 0.0006 Å
• α: 105.953 ± 0.002°
• β: 95.907 ± 0.002°
• γ: 108.672 ± 0.002°
• Cell volume: 975.86 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No