Information card for entry 4021883

Structure parameters

• Formula: C21 H19 O4 P
• Calculated formula: C21 H19 O4 P
• SMILES: O1[C@@H](P(=O)(O)[C@@H](OC1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A Novel Method for the Separation of Bis(α-hydroxyalkyl)phosphinic Acid Diastereoisomers via Formation of Novel Cyclic Phosphinic Acids
• Authors of publication: Babak Kaboudin; Hamideh Haghighat; Tsutomu Yokomatsu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6604 - 6606
• a: 15.461 ± 0.003 Å
• b: 19.71 ± 0.004 Å
• c: 5.7408 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.4 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0646
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No