Information card for entry 7213403

Structure parameters

• Chemical name: diphenyl[1-(2-phenylamino-3-oxocyclopentyl)ethyl]phosphine oxide
• Formula: C30 H26 N O3 P
• Calculated formula: C30 H26 N O3 P
• SMILES: P(=O)([C@H]([C@]1(OC(=O)C=C1Nc1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.P(=O)([C@@H]([C@@]1(OC(=O)C=C1Nc1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of cyclopentenones and butenolides by reaction of the lithium salt of P,P-diphenyl-P-(alkyl)(N-phenyl)phosphazenes with electrophilic double and triple bonds
• Authors of publication: Álvarez-Gutiérrez, Julia M.; López-Ortiz, Fernando; García-Granda, Santiago; Rodríguez-González, Alejandra
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4469
• a: 11.271 ± 0.001 Å
• b: 9.216 ± 0.004 Å
• c: 24.27 ± 0.003 Å
• α: 90°
• β: 92.27 ± 0.06°
• γ: 90°
• Cell volume: 2519 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3456
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No