Information card for entry 7204414

Structure parameters

• Formula: C36 H27 O P
• Calculated formula: C36 H27 O P
• SMILES: P(=CC(=O)c1ccc(c2cc3c(cc2)cccc3)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Elongated phosphoranes by C???C coupling of haloaroylmethylidenetriphenylphosphoranes: synthesis and applications
• Authors of publication: Thiemann, Thies; Umeno, Kuniharu; Wang, Jian; Tabuchi, Yumiko; Arima, Kazuya; Watanabe, Masataka; Tanaka, Yasuko; Gorohmaru, Hideki; Mataka, Shuntaro
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2090
• a: 21.492 ± 0.001 Å
• b: 8.0545 ± 0.0004 Å
• c: 15.4024 ± 0.0009 Å
• α: 90 ± 0.5°
• β: 96.1 ± 0.8°
• γ: 90 ± 0.6°
• Cell volume: 2651 ± 4 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 4
• 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: 0.1411
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No