Information card for entry 1506876

Structure parameters

• Formula: C36.5 H43 Cl4 O4 P
• Calculated formula: C36.5 H43 Cl4 O4 P
• SMILES: P12(Oc3c(Cc4c(O1)c(cc(c4)C)C(C)(C)C)cc(cc3C(C)(C)C)C)(Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl)C(C)(C)C.c1(ccccc1)C
• 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: 9.5164 ± 0.0007 Å
• b: 10.9825 ± 0.0009 Å
• c: 17.8763 ± 0.0014 Å
• α: 84.208 ± 0.002°
• β: 81.966 ± 0.002°
• γ: 82.869 ± 0.002°
• Cell volume: 1829 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No