Information card for entry 7063814

Structure parameters

• Formula: C27 H19 Cl N9 O3 P3
• Calculated formula: C27 H19 Cl N9 O3 P3
• Title of publication: Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties
• Authors of publication: Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 9583 - 9599
• a: 8.8942 ± 0.001 Å
• b: 24.158 ± 0.003 Å
• c: 12.9982 ± 0.0014 Å
• α: 90°
• β: 93.967 ± 0.002°
• γ: 90°
• Cell volume: 2786.2 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No