Information card for entry 1566831

Structure parameters

• Formula: C36 H24 N3 P S4
• Calculated formula: C36 H24 N3 P S4
• Title of publication: Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides
• Authors of publication: Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.351 ± 0.004 Å
• b: 14.475 ± 0.006 Å
• c: 12.042 ± 0.005 Å
• α: 90°
• β: 111.149 ± 0.009°
• γ: 90°
• Cell volume: 1520.2 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0242
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No