Information card for entry 7246044

Structure parameters

• Formula: C15 H10 N P S2
• Calculated formula: C15 H10 N P S2
• Title of publication: Luminescent 1<i>H</i>-1,3-benzazaphospholes.
• Authors of publication: Evariste, Sloane; Harrison, Alexandra M.; Sarkar, Sunandan; Rheingold, Arnold L.; Dunietz, Barry D.; Heinicke, Joachim W.; Delgado Rosario, Emalyn; Yoon, Sungwoon; Teets, Thomas S.; Protasiewicz, John D.
• Journal of publication: RSC advances
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 594 - 601
• a: 8.1771 ± 0.0004 Å
• b: 5.7977 ± 0.0003 Å
• c: 13.7003 ± 0.0007 Å
• α: 90°
• β: 90.684 ± 0.004°
• γ: 90°
• Cell volume: 649.46 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No