Information card for entry 4072098

Structure parameters

• Formula: C18 H19 O5 P
• Calculated formula: C18 H19 O5 P
• SMILES: P1(C=C(C(=C1)C)C)(c1ccccc1)=C(C(=O)OC)C(=O)C(=O)OC
• Title of publication: Reinvestigation of the Reactions of 1-Phenyl-3,4-dimethylphosphole with Dimethyl Acetylenedicarboxylate
• Authors of publication: Duan, Zheng; Zhang, Jianzhen; Tian, Rongqiang; Bai, Liuying; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5169
• a: 19.555 ± 0.004 Å
• b: 12.571 ± 0.003 Å
• c: 7.3292 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1801.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No