Information card for entry 4115750

Structure parameters

• Formula: C20 H15 Cl3 N O P
• Calculated formula: C20 H15 Cl3 N O P
• SMILES: ClC(Cl)(Cl)C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series
• Authors of publication: Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10954 - 10965
• a: 9.469 ± 0.003 Å
• b: 19.063 ± 0.004 Å
• c: 10.976 ± 0.004 Å
• α: 90°
• β: 94.9 ± 0.03°
• γ: 90°
• Cell volume: 1974 ± 1 ų
• Cell temperature: 298.7 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No