Information card for entry 7133075

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, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 60
• Pages of publication: 7697 - 7700
• a: 9.2177 ± 0.0002 Å
• b: 9.9216 ± 0.0002 Å
• c: 13.2043 ± 0.0003 Å
• α: 82.062 ± 0.002°
• β: 83.369 ± 0.002°
• γ: 77.928 ± 0.001°
• Cell volume: 1164.89 ± 0.04 ų
• Cell temperature: 219.95 ± 0.1 K
• Ambient diffraction temperature: 219.95 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No