Information card for entry 7160281

Structure parameters

• Formula: C25 H15 N S
• Calculated formula: C25 H15 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: 8.0985 ± 0.0009 Å
• b: 10.3014 ± 0.0012 Å
• c: 11.0803 ± 0.0012 Å
• α: 96.301 ± 0.004°
• β: 101.547 ± 0.003°
• γ: 101.238 ± 0.004°
• Cell volume: 877.6 ± 0.17 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: 0.0832
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No