Information card for entry 1506875

Structure parameters

• Formula: C32 H37 Cl6 O4 P
• Calculated formula: C32 H37 Cl6 O4 P
• SMILES: P12(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O2)(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)CC.ClCCl
• Title of publication: Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?
• Authors of publication: Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 145 - 148
• a: 10.842 ± 0.005 Å
• b: 30.34 ± 0.004 Å
• c: 10.832 ± 0.006 Å
• α: 90°
• β: 92.77 ± 0.02°
• γ: 90°
• Cell volume: 3559 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No