Information card for entry 4028923

Structure parameters

• Formula: C41 H33 N O5 P2
• Calculated formula: C41 H33 N O5 P2
• SMILES: P(=C(C=O)C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C=O)(c1ccccc1)(c1ccccc1)c1ccccc1.O=N(=O)[O-]
• Title of publication: Synthesis and Characterization of a Novel Dialdehyde and Cyclic Anhydride
• Authors of publication: Wu, Liqiong; Feng, Li; Zhang, Hong; Liu, Qixuan; He, Xumin; Yang, Fangzu; Xia, Haiping
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2883 - 2885
• a: 9.594 ± 0.003 Å
• b: 10.695 ± 0.004 Å
• c: 17.058 ± 0.006 Å
• α: 98.626 ± 0.006°
• β: 95.024 ± 0.006°
• γ: 108.664 ± 0.006°
• Cell volume: 1622.2 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No