Information card for entry 7160094

Structure parameters

• Formula: C20 H15 N2 P
• Calculated formula: C20 H15 N2 P
• Title of publication: Synthesis of 1,2,4-diazaphospholes <i>via</i> base-promoted cyclization reaction of hydrazonoyl chlorides and [Bu₄N][P(SiCl₃)₂].
• Authors of publication: Wang, Xin; Luo, Hui; Yang, Bo; Li, Ming; Ma, Yong-Jun; Wang, Xi-Cun; Quan, Zheng-Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 35
• Pages of publication: 7138 - 7142
• a: 6.0016 ± 0.0004 Å
• b: 11.876 ± 0.0007 Å
• c: 11.5703 ± 0.0008 Å
• α: 90°
• β: 90.548 ± 0.002°
• γ: 90°
• Cell volume: 824.64 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No