Information card for entry 7115565

Structure parameters

• Formula: C39 H30 N O4 P
• Calculated formula: C39 H30 N O4 P
• SMILES: C1(=O)C(C(=C(c2ccc(cc2)N(=O)=O)O1)C#Cc1ccccc1)=P(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Nucleophilic conjugate 1,3-addition of phosphines to oligoynoates
• Authors of publication: Jie-Cheng Deng; Chih-Wei Kuo; Shih-Ching Chuang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10580
• a: 9.6945 ± 0.0002 Å
• b: 11.27 ± 0.0003 Å
• c: 15.8376 ± 0.0004 Å
• α: 92.446 ± 0.001°
• β: 101.11 ± 0.001°
• γ: 113.846 ± 0.001°
• Cell volume: 1538.92 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No