Information card for entry 1547010

Structure parameters

• Formula: C33 H24 N O2 P
• Calculated formula: C33 H24 N O2 P
• SMILES: N(c1c(C2=C(c3c([P]2(=O)c2ccccc2)cccc3)c2ccccc2)cccc1)C(=O)c1ccccc1
• Title of publication: Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.
• Authors of publication: Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4512 - 4515
• a: 15.2424 ± 0.0015 Å
• b: 18.1764 ± 0.0016 Å
• c: 23.33 ± 0.002 Å
• α: 90°
• β: 90.142 ± 0.001°
• γ: 90°
• Cell volume: 6463.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No