Information card for entry 7216919

Structure parameters

• Formula: C26 H29 O P Se2
• Calculated formula: C26 H29 O P Se2
• SMILES: [Se]1Cc2c(P(=O)(c3ccccc3)c3ccccc3C[Se]CCCCCC1)cccc2
• Title of publication: Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2
• Authors of publication: Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1140
• a: 8.294 ± 0.002 Å
• b: 8.305 ± 0.002 Å
• c: 18.438 ± 0.004 Å
• α: 100.38 ± 0.03°
• β: 96.14 ± 0.03°
• γ: 102.78 ± 0.03°
• Cell volume: 1204 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1133
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1913
• 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