Information card for entry 7028264

Structure parameters

• Formula: C30 H26 Cl4 N2 O4 P2 Pd
• Calculated formula: C30 H26 Cl4 N2 O4 P2 Pd
• SMILES: C1(=O)c2ccccc2O[P@](N1CCCl)([Pd](Cl)([P@@]1(c2ccccc2)N(C(=O)c2ccccc2O1)CCCl)Cl)c1ccccc1.C1(=O)c2ccccc2O[P@@](N1CCCl)([Pd](Cl)([P@]1(c2ccccc2)N(C(=O)c2ccccc2O1)CCCl)Cl)c1ccccc1
• Title of publication: P-Cl bond-induced lactamization of 2(2'-hydroxyl)phenyloxazoline to form a cyclic phosphinite, 3-(2-chloroethyl)-2-phenyl-2H-benzo[e][1,3,2]oxaza-phosphinin-4(3H)-one: synthesis, structural studies and transition metal complexes.
• Authors of publication: Chaubey, Bimba; Mobin, Shaikh M.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 584 - 591
• a: 14.875 ± 0.008 Å
• b: 12.995 ± 0.006 Å
• c: 17.358 ± 0.008 Å
• α: 90°
• β: 114.29 ± 0.001°
• γ: 90°
• Cell volume: 3058 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No