Information card for entry 7221890

Structure parameters

• Common name: PhosCy3
• Chemical name: tris(4-cyanatophenyl) phosphate
• Formula: C21 H12 N3 O7 P
• Calculated formula: C21 H12 N3 O7 P
• SMILES: c1(ccc(cc1)OP(=O)(Oc1ccc(cc1)OC#N)Oc1ccc(cc1)OC#N)OC#N
• Title of publication: Synthesis, Characterization, and Cure Chemistry of High Performance Phosphate Cyanate Ester Resins
• Authors of publication: Harvey, Benjamin Grant; Chafin, Andrew; Garrison, Michael; Cambrea, Lee; Groshens, Thomas J.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.5995 ± 0.0009 Å
• b: 12.5995 ± 0.0009 Å
• c: 7.5587 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1039.16 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No