Information card for entry 4022930

Structure parameters

• Formula: C40 H38 N2 O2 P2
• Calculated formula: C40 H38 N2 O2 P2
• SMILES: N1([P@](=O)(C2=CCC=C[C@@H]2[C@H]1c1ccccc1)c1ccccc1)CCN1[P@](=O)(c2ccccc2)C2=CCC=C[C@H]2[C@@H]1c1ccccc1
• Title of publication: Double Dearomatization of Bis(diphenylphosphinamides) through Anionic Cyclization. A Facile Route of Accessing Multifunctional Systems with Antitumor Properties
• Authors of publication: Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Santiago García-Granda; Andrés Francesch; Fernando López-Ortiz; Carmen Cuevas
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3790 - 3799
• a: 11.1159 ± 0.0006 Å
• b: 13.2673 ± 0.0007 Å
• c: 11.7064 ± 0.0007 Å
• α: 90°
• β: 111.224 ± 0.001°
• γ: 90°
• Cell volume: 1609.34 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No