Information card for entry 1546810

Structure parameters

• Formula: C26 H17 Cl O1.5 P
• Calculated formula: C26 H17 Cl O1.5 P
• SMILES: P1(=O)(c2c3ccc(Cl)cc3c3ccccc3c2c2ccccc12)c1ccccc1.O
• 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: 14.084 ± 0.006 Å
• b: 14.084 ± 0.006 Å
• c: 39.7 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7875 ± 8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No