Information card for entry 7718999

Structure parameters

• Formula: C21 H15 N6 O16 P
• Calculated formula: C21 H15 N6 O16 P
• Title of publication: Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.
• Authors of publication: Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13030 - 13034
• a: 15.733 ± 0.0011 Å
• b: 18.9676 ± 0.001 Å
• c: 19.2993 ± 0.0013 Å
• α: 90°
• β: 112.173 ± 0.008°
• γ: 90°
• Cell volume: 5333.3 ± 0.7 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 5
• 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: 0.2049
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No