Information card for entry 7062160

Structure parameters

• Formula: C29 H36 Cl3 N8 P3
• Calculated formula: C29 H36 Cl3 N8 P3
• SMILES: [P@@]12(=NP(Cl)(Cl)=N[P@@]3(=N1)N(CCN3CC)Cc1ccc(Cl)cc1)N(CCN2C)Cc1ccc2n(c3c(c2c1)cccc3)CC.[P@]12(=NP(Cl)(Cl)=N[P@]3(=N1)N(CCN3CC)Cc1ccc(Cl)cc1)N(CCN2C)Cc1ccc2n(c3c(c2c1)cccc3)CC
• Title of publication: Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms
• Authors of publication: Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1900 - 1915
• a: 22.1066 ± 0.0005 Å
• b: 9.3979 ± 0.0004 Å
• c: 30.6163 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6360.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No