Information card for entry 1519481

Structure parameters

• Formula: C22 H28 N O2 P
• Calculated formula: C22 H28 N O2 P
• SMILES: P(C[C@H]1N(C(=O)OC(C)(C)C)CCC1)(c1ccccc1)c1ccccc1
• Title of publication: C22H28NO2P
• Authors of publication: Hii, Mimi; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 888
• a: 9.7279 ± 0.0002 Å
• b: 10.2527 ± 0.0002 Å
• c: 20.2703 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2021.7 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No