Information card for entry 2214628

Structure parameters

• Chemical name: gem-2,2-Diamino-4,4,6,6-tetraphenoxy-1,3,5-2λ^5^-cyclotriazaphosphorine
• Formula: C24 H24 N5 O4 P3
• Calculated formula: C24 H24 N5 O4 P3
• SMILES: P1(=NP(=NP(=N1)(N)N)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: <i>gem</i>-2,2-Diamino-4,4,6,6-tetraphenoxy-1,3,5-cyclotriaza-λ^5^-phosphorine
• Authors of publication: Lenka Dastychová; Zdirad Žák; Milan Alberti; Jan Taraba
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3500 - o3500
• a: 12.9555 ± 0.0018 Å
• b: 12.9555 ± 0.0018 Å
• c: 15.029 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2522.5 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes