Information card for entry 4023055

Structure parameters

• Formula: C28 H24 N O P
• Calculated formula: C28 H24 N O P
• SMILES: [P@]1(=O)(N([C@H](c2ccccc2)[C@H]2[C@H]1c1ccccc1C=C2)C)c1cccc2ccccc12.[P@@]1(=O)(N([C@@H](c2ccccc2)[C@@H]2[C@@H]1c1ccccc1C=C2)C)c1cccc2ccccc12
• Title of publication: Dearomatizing Anionic Cyclization of N-Alkyl-N-benzyl(dinaphthyl)phosphinamides. A Facile Route to γ-(Amino)dihydronaphthalenylphosphinic Acids
• Authors of publication: Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Fernando López-Ortiz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9704 - 9712
• a: 21.149 ± 0.009 Å
• b: 19.342 ± 0.009 Å
• c: 11.087 ± 0.005 Å
• α: 90°
• β: 95.463 ± 0.013°
• γ: 90°
• Cell volume: 4515 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1129
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No