Information card for entry 2014448

Structure parameters

• Chemical name: 1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene
• Formula: C30 H25 Cl N3 O5 P3
• Calculated formula: C30 H25 Cl N3 O5 P3
• SMILES: ClP1(=NP(=NP(=N1)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1
• Title of publication: 1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene: a precursor of functionalized cyclophosphazene derivatives
• Authors of publication: Sopková-de Oliveira Santos, Jana; Bauchart, Diane; Besset, Celine; Dez, Isabelle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o751 - o753
• a: 9.8044 ± 0.0007 Å
• b: 21.3628 ± 0.0013 Å
• c: 29.2053 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6117 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.123
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes