Information card for entry 7028261

Structure parameters

• Formula: C15 H13 Cl N O2 P Se
• Calculated formula: C15 H13 Cl N O2 P Se
• SMILES: P1(=[Se])(Oc2ccccc2C(=O)N1CCCl)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: 8.8148 ± 0.0008 Å
• b: 9.8338 ± 0.0014 Å
• c: 9.8496 ± 0.0017 Å
• α: 80.83 ± 0.013°
• β: 74.747 ± 0.011°
• γ: 76.426 ± 0.01°
• Cell volume: 796.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No