Information card for entry 2241327

Structure parameters

• Chemical name: Hexaprop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexaylhexakis(oxy)]hexabenzoate
• Formula: C60 H54 N3 O18 P3
• Calculated formula: C60 H54 N3 O18 P3
• Title of publication: Crystal structure of hexaprop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexaylhexakis(oxy)]hexabenzoate
• Authors of publication: Zhu, Jing; Li, Qian; Zheng, Fu-Wei; He, Juan; Qu, Ling-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o955 - o956
• a: 7.97548 ± 0.00011 Å
• b: 16.9389 ± 0.0003 Å
• c: 43.0661 ± 0.0007 Å
• α: 90°
• β: 93.634 ± 0.0014°
• γ: 90°
• Cell volume: 5806.35 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.075
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes