Information card for entry 7028262

Structure parameters

• Formula: C25 H27 Cl3 N O2 P Ru
• Calculated formula: C25 H27 Cl3 N O2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]6(Oc7c(C(=O)N6CCCl)cccc7)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• 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: 13.9131 ± 0.0002 Å
• b: 12.727 ± 0.0002 Å
• c: 14.3212 ± 0.0002 Å
• α: 90°
• β: 95.001 ± 0.001°
• γ: 90°
• Cell volume: 2526.23 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No