Information card for entry 7133074

Structure parameters

• Formula: C15 H11 N S
• Calculated formula: C15 H11 N S
• Title of publication: Off-the-shelf thermosalience of anthracene-9-thiocarboxamide
• Authors of publication: George III, Gary C.; Kruse, Samantha; Forbes, Tori; Hutchins, Kristin M.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 9.2758 ± 0.0002 Å
• b: 9.9051 ± 0.0002 Å
• c: 13.2567 ± 0.0003 Å
• α: 82.254 ± 0.002°
• β: 83.462 ± 0.002°
• γ: 77.957 ± 0.001°
• Cell volume: 1175.69 ± 0.04 ų
• Cell temperature: 279.95 ± 0.1 K
• Ambient diffraction temperature: 279.95 ± 0.1 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: 0.0539
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No