Information card for entry 1555891

Structure parameters

• Formula: C30 H30 N P S
• Calculated formula: C30 H30 N P S
• Title of publication: Regioselective Synthesis of Benzo[b]phosphole Derivatives via Direct ortho-Alkenylation and Cyclization of Arylthiophosphinamides.
• Authors of publication: Unoh, Yuto; Yokoyama, Yuki; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5436 - 5439
• a: 16.799 ± 0.002 Å
• b: 16.6108 ± 0.0017 Å
• c: 19.616 ± 0.003 Å
• α: 90°
• β: 108.792 ± 0.006°
• γ: 90°
• Cell volume: 5182 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1228
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No