Information card for entry 4028924

Structure parameters

• Formula: C41 H31 Cl O7 P2
• Calculated formula: C41 H31 Cl O7 P2
• SMILES: Cl(=O)(=O)(=O)[O-].P(=C1C(=O)OC(=O)C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.8145 ± 0.0005 Å
• b: 12.2319 ± 0.0004 Å
• c: 17.1881 ± 0.0005 Å
• α: 90°
• β: 95.017 ± 0.003°
• γ: 90°
• Cell volume: 3521.59 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No